N-[ (4-Bromophenyl) methyl]acetamide

CAT: 0127-OR32516-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR32516-01Size:100 mg

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CAS Number

90561-76-5

MDL Number

MFCD14659390

Purity

97%

Smiles

CC(=O)NCc1ccc(Br)cc1

Chemical Information

N-((4-Bromophenyl)methyl)acetamide

CAS Number	90561-76-5
PubChem CID	15640188
IUPAC Name	N-[(4-bromophenyl)methyl]acetamide
Molecular Formula	C9H10BrNO
Molecular Weight	228.09
XLogP	1.6
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	153

SMILES

CC(=O)NCC1=CC=C(C=C1)Br

InChI

InChI=1S/C9H10BrNO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12)

InChIKey

HBBBWKUVJSIFKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90561-76-5

CID: 15640188

Formula: C9H10BrNO

MW: 228.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.09
XLogP3	1.6
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	153
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
OR1103247-01	N- (2-Acetyl-4-bromophenyl) acetamide
OR1028593-01	N- (4-Acetyl-2-Bromophenyl) Acetamide
OR96530-01	2- (4-Bromophenyl) acetamide
OR14478	2-[ (4-Aminophenyl) thio]-N- (4-bromophenyl) acetamide
OR1051421-01	(S) -N- ((3- (4-Bromophenyl) -2-oxooxazolidin-5-yl) methyl) acetamide
OR957567	N-[ (4-Hydroxyphenyl) methyl]acetamide
OR947248	N-Methyl-N- (4-nitrophenyl) acetamide
OR1064707-01	2- ((4-Bromophenyl) thio) acetamide
OR1052329-01	N- (4-Bromophenyl) -2- ((2-hydroxyethyl) amino) acetamide
OR1099082-01	N- (4-Bromophenyl) glycine methyl ester

Catalog	Name
QDA56176-01	N-[ (4-Bromophenyl) methyl]acetamide
sc-352133	2-{[ (4-bromophenyl) methyl]amino}acetamide
sc-354635A	N- (4-{[ (4-bromophenyl) methyl]amino}phenyl) acetamide
ZCA86013	2- (4-Bromophenyl) acetamide
HY-101424-01	2-Chloro-N- (2-methyl-4-bromophenyl) acetamide
ANB65122-01	2-Amino-2- (4-bromophenyl) acetamide
456810-01	N- (2-Acetyl-4-bromophenyl) acetamide
RG-E141558-01	N-Acetyl-N- (4-bromophenyl) acetamide
sc-282976	2-bromo-N- (4-bromophenyl) acetamide
KJB74587-01	N- (4-Amino-3-bromophenyl) acetamide