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11-Chloro-2，3，3a，12b-tetrahydro-2-methyl-1H-dibenz[2，3:6，7]oxepino[4，5-c]pyrrol-1-one - ≥98%, high purity , CAS No.129385-59-7

COA

Grade & Purity:

≥98%

Cas Number: 129385-59-7
Molecular Weight: 299.75
PubChem CID: 54753299

In stock

Item Number

C733875

Grouped product items
SKU	Size	Availability	Price
C733875-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
C733875-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$103.90
C733875-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$187.90
C733875-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$406.90
C733875-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,189.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxepines
    - Subclass Dibenzoxepines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxepines
Subclass	Dibenzoxepines
Intermediate Tree Nodes	Not available
Direct Parent	Dibenzoxepines
Alternative Parents	Pyrrolidine-2-ones N-alkylpyrrolidines N-acyl amines Benzenoids Tertiary carboxylic acid amides Lactams Vinyl chlorides Oxacyclic compounds Ethers Chloroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dibenzoxepine - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - N-acyl-amine - Tertiary carboxylic acid amide - Pyrrolidine - Lactam - Carboxamide group - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
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	(2S,6S)-17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-3-one
INCHI	InChI=1S/C17H14ClNO2/c1-19-9-13-11-4-2-3-5-14(11)21-15-7-6-10(18)8-12(15)16(13)17(19)20/h2-8,13,16H,9H2,1H3/t13-,16-/m1/s1
InChIKey	OOUVAHYYJVOIIB-CZUORRHYSA-N
Smiles	CN1CC2C(C1=O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
Isomeric SMILES	CN1C[C@H]2[C@H](C1=O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
PubChem CID	54753299
Molecular Weight	299.75

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	299.700 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	299.071 Da
Monoisotopic Mass	299.071 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	429.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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