N- (3-Bromobenzyl) acetamide

CAT: 0127-OR1066991-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1066991-01Size:250 mg

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CAS Number

337535-82-7

MDL Number

MFCD08569828

Purity

95%

Smiles

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

Chemical Information

N-(3-bromobenzyl)acetamide

CAS Number	337535-82-7
PubChem CID	12175281
IUPAC Name	N-[(3-bromophenyl)methyl]acetamide
Molecular Formula	C9H10BrNO
Molecular Weight	228.09
XLogP	2
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	161

SMILES

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

InChI

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

InChIKey

UVPIDNMBEZYIIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 337535-82-7

CID: 12175281

Formula: C9H10BrNO

MW: 228.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.09
XLogP3	2
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	161
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
OR93223-01	N- (2-Bromobenzyl) acetamide
OR1101219-01	N- (3-bromobenzyl) cyclopentanamine
OR76572-01	N- (3-Bromobenzyl) cyclopropanamine
OR306078	N- (3-Bromobenzyl) oxetan-3-amine
OR1082370	N- (3-bromobenzyl) -N- (tert-butyl) amine
OR306077	N- (2-Bromobenzyl) oxetan-3-amine
OR306079	N- (4-Bromobenzyl) oxetan-3-amine
OR1082381	(3-Bromobenzyl) -diisopropylamine
OR1021468	3-Bromobenzyl thiocyanate
OR4547	3-Bromobenzyl chloride

Catalog	Name
MNA53582-01	N- (3-Bromobenzyl) acetamide
sc-269622	N- (2-Bromobenzyl) acetamide
HY-W016784-01	Indole-3-acetamide
165118	N- (3,3-Diethoxypropyl) acetamide
TRC-D442110-10G	N-(3,3-Diethoxypropyl)acetamide
YZB14779-01	N- (3-Bromobenzenesulfonyl) acetamide
SBA60267	N- (3-Thienyl) acetamide
PAA09177-01	N- (3-Chloropropyl) acetamide
264187-01	3-Bromobenzyl chloride
TRC-B680508-2.5G	3-Bromobenzyl bromide