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4-Bromo-N-cyclopropylbenzamide - ≥98%, high purity , CAS No.306745-64-2

COA

Grade & Purity:

≥98%

Cas Number: 306745-64-2
Molecular Weight: 240.1
PubChem CID: 882949

In stock

Item Number

B699272

Grouped product items
SKU	Size	Availability	Price	Qty
B699272-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$140.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 4-halobenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	4-halobenzoic acids and derivatives
Alternative Parents	Benzamides Benzoyl derivatives Bromobenzenes Aryl bromides Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene 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	4-bromo-N-cyclopropylbenzamide
INCHI	InChI=1S/C10H10BrNO/c11-8-3-1-7(2-4-8)10(13)12-9-5-6-9/h1-4,9H,5-6H2,(H,12,13)
InChIKey	PTAOXRHPDPMIBL-UHFFFAOYSA-N
Smiles	C1CC1NC(=O)C2=CC=C(C=C2)Br
Isomeric SMILES	C1CC1NC(=O)C2=CC=C(C=C2)Br
PubChem CID	882949
Molecular Weight	240.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	240.100 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	238.995 Da
Monoisotopic Mass	238.995 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	195.000
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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