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2-Bromo-4-fluoro-N-methylbenzamide - ≥95%, high purity , CAS No.923138-87-8

COA

Grade & Purity:

≥95%

Cas Number: 923138-87-8
Molecular Weight: 232.05
PubChem CID: 17403024

In stock

Item Number

B728938

Grouped product items
SKU	Size	Availability	Price
B728938-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
B728938-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$102.90
B728938-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$477.90
B728938-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,395.90

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	2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Vinylogous halides Secondary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl bromide - Aryl fluoride - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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	2-bromo-4-fluoro-N-methylbenzamide
INCHI	InChI=1S/C8H7BrFNO/c1-11-8(12)6-3-2-5(10)4-7(6)9/h2-4H,1H3,(H,11,12)
InChIKey	FLTQCBCOHJWXTO-UHFFFAOYSA-N
Smiles	CNC(=O)C1=C(C=C(C=C1)F)Br
Isomeric SMILES	CNC(=O)C1=C(C=C(C=C1)F)Br
PubChem CID	17403024
Molecular Weight	232.05

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	232.050 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	230.97 Da
Monoisotopic Mass	230.97 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176.000
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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