2-Bromo-4-chlorobenzamide

CAT: 0127-OR1063157-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1063157-01Size:1 g

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CAS Number

131002-01-2

MDL Number

MFCD17170781

Purity

98%

Smiles

O=C(N)C1=CC=C(Cl)C=C1Br

Chemical Information

2-Bromo-4-chlorobenzamide

CAS Number	131002-01-2
PubChem CID	15111014
IUPAC Name	2-bromo-4-chlorobenzamide
Molecular Formula	C7H5BrClNO
Molecular Weight	234.48
XLogP	2.1
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	165

SMILES

C1=CC(=C(C=C1Cl)Br)C(=O)N

InChI

InChI=1S/C7H5BrClNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11)

InChIKey

HAVNOBBLFYXBDL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 131002-01-2

CID: 15111014

Formula: C7H5BrClNO

MW: 234.48

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.48
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	232.92430
Monoisotopic Mass	232.92430
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR346688	4-Bromo-2-chlorobenzamide
OR346690	4-Bromo-3-chlorobenzamide
OR346689	3-Bromo-4-chlorobenzamide
OR346687	5-Bromo-2-chlorobenzamide
OR1095768	N, N-dimethyl 4-bromo-2-chlorobenzamide
OR96551-01	4-Amino-2-chlorobenzamide
OR21497-01	4-Chlorobenzamide
OR1037081	3-Bromo-5-chlorobenzamide
OR307693-01	2-Amino-4-chlorobenzamide
OR29964	N1- (5-bromo-2-chloro-3-pyridyl) -4-chlorobenzamide

Catalog	Name
BSA26573	4-Bromo-2-chlorobenzamide
415861-01	2-bromo-4-chlorobenzamide
424281-01	3-Bromo-4-chlorobenzamide
430957-01	4-Bromo-3-chlorobenzamide
415219-01	2-Amino-5-bromo-4-chlorobenzamide
458927-01	N-Ethyl 4-bromo-2-chlorobenzamide
415076-01	2-Amino-4-bromo-5-chlorobenzamide
459346-01	N-Methyl 4-bromo-2-chlorobenzamide
433021-01	4-Methoxybenzyl 5-bromo-2-chlorobenzamide
435325-01	5-Bromo-2-chlorobenzamide