N- (4-bromophenyl) prop-2-enamide

CAT: 0024-sc-354698Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-354698Size:250 mg

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CAS Number

13997-69-8

Chemical Information

n-(4-Bromophenyl)prop-2-enamide

CAS Number	13997-69-8
PubChem CID	263609
IUPAC Name	N-(4-bromophenyl)prop-2-enamide
Molecular Formula	C9H8BrNO
Molecular Weight	226.07
XLogP	2.9
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	173

SMILES

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

InChI

InChI=1S/C9H8BrNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)

InChIKey

ZSBLNRQSHLZWNV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13997-69-8

CID: 263609

Formula: C9H8BrNO

MW: 226.07

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	226.07
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	224.97893
Monoisotopic Mass	224.97893
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	173
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
sc-354753	N- (4-fluorophenyl) prop-2-enamide
sc-354753A	N- (4-fluorophenyl) prop-2-enamide
sc-354348	N- (2-hydroxyethyl) -3- (thiophen-2-yl) prop-2-enamide
sc-354348A	N- (2-hydroxyethyl) -3- (thiophen-2-yl) prop-2-enamide
sc-343908	2-cyano-3- (dimethylamino) prop-2-enamide
sc-343908A	2-cyano-3- (dimethylamino) prop-2-enamide
sc-343581A	(2E) -2-carbamothioyl-3- (2-hydroxyphenyl) prop-2-enamide
sc-343581	(2E) -2-carbamothioyl-3- (2-hydroxyphenyl) prop-2-enamide
sc-259409	2-[ (4-Bromophenyl) carbonyl]-3- (dimethylamino) prop-2-enenitrile
sc-259409A	2-[ (4-Bromophenyl) carbonyl]-3- (dimethylamino) prop-2-enenitrile

Catalog	Name
JFA04667-01	N- (3-Bromophenyl) prop-2-enamide
ARB69593	3- (4-bromophenyl) -N- (2-indol-3-ylethyl) prop-2-enamide
MBS3616956-01	N-(4-methoxyphenyl)prop-2-enamide
BUP08510-01	N- (4-methoxyphenyl) prop-2-enamide
JFA04678-01	N- (4-Phenoxyphenyl) prop-2-enamide
HAA76638-01	N- (4-Nitrophenyl) prop-2-enamide
NAA30463-01	N-[4- (Dimethylamino) phenyl]prop-2-enamide
VCA87553-01	N-[ (4-Methoxyphenyl) methyl]prop-2-enamide
PEA85948-01	N- (3,4-Dimethoxyphenyl) prop-2-enamide
WRB47160-01	N-[ (4-Fluorophenyl) methyl]prop-2-enamide