2-Bromo-3-nitroaniline

CAT: 0127-OR400621-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR400621-01Size:250 mg

Selected

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

Quick Request Actions

CAS Number

35757-20-1

MDL Number

MFCD12923157

Purity

=95%

Smiles

Nc1cccc(c1Br)[N+](=O)[O-]

Chemical Information

2-Bromo-3-nitroaniline

CAS Number	35757-20-1
PubChem CID	14577494
IUPAC Name	2-bromo-3-nitroaniline
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.02
XLogP	2.1
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	159

SMILES

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

InChI

InChI=1S/C6H5BrN2O2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H,8H2

InChIKey

GDKBUWQOCGJBFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35757-20-1

CID: 14577494

Formula: C6H5BrN2O2

MW: 217.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.02
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	215.95344
Monoisotopic Mass	215.95344
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159
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
263835-01	3-Bromo-2-nitroaniline
DXC61071-01	2-Bromo-3-nitroaniline hydrochloride
FB10713-01	4-Bromo-2-nitroaniline
415933-01	2-Bromo-4-nitroaniline
AEC11742-01	3-bromo-5-fluoro-2-nitroaniline
264357-01	2-Bromo-5-nitroaniline
TRC-B686170-1G	2-Bromo-6-nitroaniline
sc-482450	5-Bromo-2-nitroaniline
AQB57399-01	4-Bromo-3-chloro-2-nitroaniline
DXC58259-01	3-Bromo-4-methyl-2-nitroaniline