3-Chloro-2-nitrobenzyl bromide

CAT: 0926-GCA43300Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-GCA43300Size:5 g

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CAS Number

56433-00-2

MDL Number

MFCD17168787

Smiles

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

Molecular Formula

C7H5BrClNO2

Molecular Weight

250.48 g/mol

Controlled

Chemical Information

1-(Bromomethyl)-3-chloro-2-nitrobenzene

CAS Number	56433-00-2
PubChem CID	12232551
IUPAC Name	1-(bromomethyl)-3-chloro-2-nitrobenzene
Molecular Formula	C7H5BrClNO2
Molecular Weight	250.48
XLogP	2.9
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	173

SMILES

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

InChI

InChI=1S/C7H5BrClNO2/c8-4-5-2-1-3-6(9)7(5)10(11)12/h1-3H,4H2

InChIKey

AQAIAXUOYCTOOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56433-00-2

CID: 12232551

Formula: C7H5BrClNO2

MW: 250.48

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.48
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	248.91922
Monoisotopic Mass	248.91922
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	173
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
SBA53363-01	2-Chloro-4-nitrobenzyl bromide
FN10244-01	3-Nitrobenzyl bromide
WMB12565	2-Fluoro-3-nitrobenzyl bromide
HDA61749-01	2-Bromo-3-nitrobenzyl bromide
EUB54373-01	3-Fluoro-2-nitrobenzyl bromide
IDA14102-01	2,6-dichloro-3-nitrobenzyl bromide
FC55539-01	3-Chloro-2-nitrobenzyl alcohol
FN38852-01	4-Nitrobenzyl bromide
IKB98775-01	3-Fluoro-5-nitrobenzyl bromide
BNA59566	4-Bromo-3-nitrobenzyl bromide