2-Bromo-3-phenylpropanamide

CAT: 0926-GCA34867-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GCA34867-01Size:50 mg

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CAS Number

56348-67-5

MDL Number

MFCD20744856

Smiles

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

Molecular Formula

C9H10BrNO

Molecular Weight

228.09 g/mol

Controlled

Chemical Information

2-Bromo-3-phenylpropanamide

CAS Number	56348-67-5
PubChem CID	22238787
IUPAC Name	2-bromo-3-phenylpropanamide
Molecular Formula	C9H10BrNO
Molecular Weight	228.09
XLogP	1.9
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	155

SMILES

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

InChI

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

InChIKey

BJESFDVRFIKQGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56348-67-5

CID: 22238787

Formula: C9H10BrNO

MW: 228.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.09
XLogP3	1.9
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	43.1 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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RLB32266-01	2-Azido-3-phenylpropanamide
AAA70559-01	2-Hydroxy-3-phenylpropanamide
BAA12570-01	2-Phenylpropanamide
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AAA82654-01	2-Methyl-2-phenylpropanamide
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Catalog	Name
RG-B181573-01	2-Bromo-N-Phenylpropanamide
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OR1060170-01	3-Hydroxy-2-phenylpropanamide
OR1040018-01	2-Amino-3-phenylpropanamide
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OR96002-01	(R) -2-Amino-3-phenylpropanamide
OR75279-01	(S) -2-Amino-3-phenylpropanamide
AL BZ 0518-01	3-amino-3-phenylpropanamide