N- (3-Bromophenyl) butyramide

CAT: 0127-OR1034963-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1034963-01Size:100 mg

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CAS Number

132118-41-3

Purity

98%

Smiles

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

Chemical Information

N-(3-bromophenyl)butanamide

CAS Number	132118-41-3
PubChem CID	849247
IUPAC Name	N-(3-bromophenyl)butanamide
Molecular Formula	C10H12BrNO
Molecular Weight	242.11
XLogP	3.1
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	172

SMILES

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

InChI

InChI=1S/C10H12BrNO/c1-2-4-10(13)12-9-6-3-5-8(11)7-9/h3,5-7H,2,4H2,1H3,(H,12,13)

InChIKey

WHHHQYXQPXYIFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132118-41-3

CID: 849247

Formula: C10H12BrNO

MW: 242.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.11
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	241.01023
Monoisotopic Mass	241.01023
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172
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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Catalog	Name
452345-01	Indole-3-butyramide
sc-279531	N- (3-Chloro-phenyl) -3-oxo-butyramide
sc-276381	3-Oxo-N- (3-trifluoromethyl-phenyl) -butyramide
286358-01	3-Oxo-N- (4-trifluoromethylphenyl) butyramide
TRC-O992215-10MG	3-Oxo-N-(4-trifluoromethylphenyl)butyramide
sc-276382	3-Oxo-N-m-tolyl-butyramide
sc-352197A	2-Amino-2,3-dimethyl butyramide
sc-279545	N- (3-Nitro-phenyl) -3-oxo-butyramide
sc-354619A	N- (3,4-Difluoro-phenyl) -3-oxo-butyramide
sc-354626	N- (3,4-Dimethyl-phenyl) -3-oxo-butyramide