2-Bromo-N-phenylpropanamide

CAT: 0127-OR27916-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR27916-01Size:100 mg

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CAS Number

42308-20-3

Synonyms

2-Bromo-N-phenylpropionamide

MDL Number

MFCD00012228

Purity

99%

Smiles

CC(Br)C(=O)Nc1ccccc1

Chemical Information

2-Bromo-N-phenylpropionamide

CAS Number	42308-20-3
PubChem CID	99113
IUPAC Name	2-bromo-N-phenylpropanamide
Molecular Formula	C9H10BrNO
Molecular Weight	228.09
XLogP	2.1
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	155

SMILES

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

InChI

InChI=1S/C9H10BrNO/c1-7(10)9(12)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)

InChIKey

OPPUMGDCQYPOSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42308-20-3

CID: 99113

Formula: C9H10BrNO

MW: 228.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.09
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	226.99458
Monoisotopic Mass	226.99458
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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OR1021122-01	2,2-Dimethyl-N-phenylpropanamide
OR1072533-01	2-Phenylpropanamide
OR1063829	2-Amino-N-methyl-3-phenylpropanamide
OR32156-01	3-Chloro-2,2-dimethyl-N-phenylpropanamide
OR1064638-01	2-Amino-N-cyclohexyl-3-phenylpropanamide
OR964996-01	3-Chloro-N-phenylpropanamide
OR1003117-01	2-Methyl-2-phenylpropanamide

Catalog	Name
RG-B181573-01	2-Bromo-N-Phenylpropanamide
HJB81421-01	2-Bromo-N-methyl-3-phenylpropanamide
GCA34867-01	2-Bromo-3-phenylpropanamide
JBD31968-01	3-Bromo-2-hydroxy-2-phenylpropanamide
CS-T-39672	N-Phenylpropanamide
AR-A06584-01	2-Chloro-N-Phenylpropanamide
FC169982	2-Chloro-N-ethyl-N-phenylpropanamide
FC169974	2-Chloro-N-methyl-N-phenylpropanamide
FAA45567-01	2-Hydroxy-N-methyl-N-phenylpropanamide
sc-478402	N-Phenylpropanamide-d5