2-Bromo-3-nitrobenzyl bromide

CAT: 0926-HDA61749-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-HDA61749-01Size:0.1 g

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CAS Number

82617-49-0

MDL Number

MFCD18390263

Smiles

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

Molecular Formula

C7H5Br2NO2

Molecular Weight

294.93 g/mol

Controlled

Chemical Information

2-Bromo-1-bromomethyl-3-nitrobenzene

CAS Number	82617-49-0
PubChem CID	11066342
IUPAC Name	2-bromo-1-(bromomethyl)-3-nitrobenzene
Molecular Formula	C7H5Br2NO2
Molecular Weight	294.93
XLogP	3
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	171

SMILES

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

InChI

InChI=1S/C7H5Br2NO2/c8-4-5-2-1-3-6(7(5)9)10(11)12/h1-3H,4H2

InChIKey

IMFSHMCSISIQIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82617-49-0

CID: 11066342

Formula: C7H5Br2NO2

MW: 294.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.93
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	294.86665
Monoisotopic Mass	292.86870
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	171
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
HDA42034-01	4-Bromo-2-nitrobenzyl bromide
KBA28742	5-Bromo-2-nitrobenzyl bromide
BNA59566	4-Bromo-3-nitrobenzyl bromide
PFA19480-01	3-Bromo-5-nitrobenzyl bromide
FN10244-01	3-Nitrobenzyl bromide
WMB12565	2-Fluoro-3-nitrobenzyl bromide
EUB54373-01	3-Fluoro-2-nitrobenzyl bromide
GCA43300	3-Chloro-2-nitrobenzyl bromide
IDA14102-01	2,6-dichloro-3-nitrobenzyl bromide
QDA40720-01	2-Bromo-3-nitrobenzyl alcohol

Catalog	Name
OR400520-01	2-Bromo-3-nitrobenzyl bromide
OR52712-01	3-Bromo-2-nitrobenzyl bromide
OR55196-01	2-Bromo-6-nitrobenzyl bromide
OR400618-01	4-Bromo-2-nitrobenzyl bromide
sc-267318	4-bromo-3-nitrobenzyl bromide
OR46553-01	3-Bromo-5-nitrobenzyl bromide
OR400065-01	2-Bromo-4-nitrobenzyl bromide
OR400606-01	5-Bromo-2-nitrobenzyl bromide
PC500371	3-Bromo-6-fluoro-2-nitrobenzyl bromide
PC501328-01	2-Bromo-5-fluoro-3-nitrobenzyl bromide