N- (4-Bromophenyl) -2-cyanoacetamide

CAT: 0127-OR1056256-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1056256-01Size:100 mg

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CAS Number

24522-26-7

MDL Number

MFCD00121369

Purity

97%

Smiles

O=C(NC1=CC=C(Br)C=C1)CC#N

Chemical Information

N-(4-bromophenyl)-2-cyanoacetamide

CAS Number	24522-26-7
PubChem CID	693037
IUPAC Name	N-(4-bromophenyl)-2-cyanoacetamide
Molecular Formula	C9H7BrN2O
Molecular Weight	239.07
XLogP	2.7
Topological Polar Surface Area	52.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	225

SMILES

C1=CC(=CC=C1NC(=O)CC#N)Br

InChI

InChI=1S/C9H7BrN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)

InChIKey

JRUFTJOJESSNQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24522-26-7

CID: 693037

Formula: C9H7BrN2O

MW: 239.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.07
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	237.97418
Monoisotopic Mass	237.97418
Topological Polar Surface Area	52.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	225
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
OR14407	N- (4-Chlorobenzyl) -2-cyanoacetamide
OR33321	N- (4-Chlorophenyl) -2-cyanoacetamide
OR14083	N-Benzyl-2-cyanoacetamide
OR953558-01	N- (2-Chlorophenyl) -2-cyanoacetamide
OR1037987-01	N- (3-chloro-4-methylphenyl) -2-cyanoacetamide
OR82512	N- (3-Chloro-4-methoxyphenyl) -2-cyanoacetamide
OR1043146-01	N-1-[4- (Benzyloxy) phenyl]-2-cyanoacetamide
PC410177-01	N- (3-Chloro-4-fluorophenyl) -2-cyanoacetamide
OR1010415	2-Cyanoacetamide
OR1065068-01	N- (3-Chlorophenyl) -2-cyanoacetamide

Catalog	Name
ZAA52226-01	N- (4-Bromophenyl) -2-cyanoacetamide
RXA92605-01	N-[ (4-Bromophenyl) methyl]-2-cyanoacetamide
sc-354275A	N- (2-bromophenyl) -2-cyanoacetamide
RXA92628-01	N-[ (2-Bromophenyl) methyl]-2-cyanoacetamide
sc-329704	N- (4-Acetylphenyl) -2-cyanoacetamide
FC132644	N- (4-Chlorophenyl) -2-cyanoacetamide
sc-311465A	N- (4-Chlorobenzyl) -2-cyanoacetamide
sc-329995	N- (4-Butylphenyl) -2-cyanoacetamide
sc-330935	N-[4- (Aminosulfonyl) benzyl]-2-cyanoacetamide
sc-355263	N-[4- (acetylamino) phenyl]-2-cyanoacetamide