3-Bromo-N-Phenylpropanamide

CAT: 0127-OR1027852-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1027852-01Size:100 mg

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CAS Number

7661-07-6

Synonyms

3-bromo-N-phenylpropanamide

Purity

98%

Smiles

C1=CC=C(C=C1)NC(=O)CCBr

Chemical Information

3-Bromo-N-phenylpropanamide

CAS Number	7661-07-6
PubChem CID	263599
IUPAC Name	3-bromo-N-phenylpropanamide
Molecular Formula	C9H10BrNO
Molecular Weight	228.09
XLogP	1.8
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	143

SMILES

C1=CC=C(C=C1)NC(=O)CCBr

InChI

InChI=1S/C9H10BrNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)

InChIKey

LPVAUTDBCYXZCP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7661-07-6

CID: 263599

Formula: C9H10BrNO

MW: 228.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.09
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	226.99458
Monoisotopic Mass	226.99458
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143
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
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OR964996-01	3-Chloro-N-phenylpropanamide
OR80412-01	N- (4-Bromophenyl) -3-phenylpropanamide
OR917336-01	N-Methyl-3-oxo-3-phenylpropanamide
OR1099383-01	3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
OR1063829	2-Amino-N-methyl-3-phenylpropanamide
OR1064638-01	2-Amino-N-cyclohexyl-3-phenylpropanamide
OR303137-01	2-Chloro-N-phenylpropanamide
OR32156-01	3-Chloro-2,2-dimethyl-N-phenylpropanamide

Catalog	Name
RG-B181573-01	2-Bromo-N-Phenylpropanamide
HJB81421-01	2-Bromo-N-methyl-3-phenylpropanamide
GCA34867-01	2-Bromo-3-phenylpropanamide
FP26998-01	N-Phenylpropanamide
KAA26423-01	N-Cyclohexyl-3-phenylpropanamide
HCA52864-01	3-Amino-N-phenylpropanamide
TRC-E918445-50MG	N-Ethyl-3-phenylpropanamide
TRC-C103198-1G	N-(3-Hydroxyphenyl)-3-phenylpropanamide
sc-329538	N- (3-Aminophenyl) -3-phenylpropanamide
JBD31968-01	3-Bromo-2-hydroxy-2-phenylpropanamide