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5-Chloro-7-nitrobenzo[d]oxazol-2(3h)-one - 95%, high purity , CAS No.811810-67-0

COA

Grade & Purity:

≥95%

Cas Number: 811810-67-0
Molecular Weight: 214.6
PubChem CID: 29976111

In stock

Item Number

C186717

Grouped product items
SKU	Size	Availability	Price	Qty
C186717-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$890.90
C186717-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,610.90

Discover 5-Chloro-7-nitrobenzo[d]oxazol-2(3h)-one by Aladdin Scientific in 95% for only $890.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	811810-67-0 \| 5-chloro-7-nitro-2,3-dihydro-1,3-benzoxazol-2-one \| 5-CHLORO-7-NITRO-2(3H)-BENZOXAZOLONE \| 5-chloro-7-nitrobenzo[d]oxazol-2(3h)-one \| 5-chloro-7-nitro-3H-1,3-benzoxazol-2-one \| 5-Chloro-7-nitrobenzoxazol-2(3H)-one \| MFCD09753602 \| 5-Chloro-7-nitro-1,3-ben
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazoles
    - Subclass Benzoxazolones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazoles
Subclass	Benzoxazolones
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazolones
Alternative Parents	Nitroaromatic compounds Aryl chlorides Benzenoids Oxazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazolone - Nitroaromatic compound - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Oxazole - C-nitro compound - Organic nitro compound - Oxacycle - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	5-chloro-7-nitro-3H-1,3-benzoxazol-2-one
INCHI	InChI=1S/C7H3ClN2O4/c8-3-1-4-6(14-7(11)9-4)5(2-3)10(12)13/h1-2H,(H,9,11)
InChIKey	CRZGVTHVMCEWRC-UHFFFAOYSA-N
Smiles	C1=C(C=C(C2=C1NC(=O)O2)[N+](=O)[O-])Cl
Isomeric SMILES	C1=C(C=C(C2=C1NC(=O)O2)[N+](=O)[O-])Cl
Molecular Weight	214.6
Reaxy-Rn	203837
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=203837&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	214.560 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	213.978 Da
Monoisotopic Mass	213.978 Da
Topological Polar Surface Area	84.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	279.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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