3-Nitrophenacyl bromide

CAT: 0127-OR11094-01Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR11094-01Size:25 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2227-64-7

Synonyms

2-Bromo-3'-nitroacetophenone, 2-Bromo-1- (3-nitrophenyl) ethan-1-one

MDL Number

MFCD00024512

Purity

98%

Smiles

[O-][N+](=O)c1cccc(c1)C(=O)CBr

Chemical Information

2-Bromo-1-(3-nitrophenyl)ethan-1-one

CAS Number	2227-64-7
PubChem CID	75213
IUPAC Name	2-bromo-1-(3-nitrophenyl)ethanone
Molecular Formula	C8H6BrNO3
Molecular Weight	244.04
XLogP	2.2
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	214

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CBr

InChI

InChI=1S/C8H6BrNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2

InChIKey

GZHPNIQBPGUSSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2227-64-7

CID: 75213

Formula: C8H6BrNO3

MW: 244.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.04
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	242.95311
Monoisotopic Mass	242.95311
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	214
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
OR2385-01	2-Nitrophenacyl bromide
OR24069	4-Nitrophenacyl bromide
PC501205-01	3-Fluoro-2-nitrophenacyl bromide
PC502377	3-Fluoro-4-methoxy-5-nitrophenacyl bromide
PC501913	2-Bromo-5-fluoro-4-nitrophenacyl bromide
OR350581-01	3-Acetamidophenacyl bromide
OR5960-01	3-Bromophenacyl bromide
PC3694-01	3-Fluorobenzyl bromide
OR5035-01	3-Chlorobenzyl bromide
OR45138-01	3-Iodophenacyl bromide