1,4-dibromo-2-nitrobenzene

CAT: 1731-FH 1W 0042-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-FH 1W 0042-01Size:1 mg

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CAS Number

3460-18-2

MDL Number

MFCD00007046

Purity

0.95

Smiles

O=[N+] ([O-]) c1cc (Br) ccc1Br

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

1,4-Dibromo-2-nitrobenzene

CAS Number	3460-18-2
PubChem CID	77004
IUPAC Name	1,4-dibromo-2-nitrobenzene
Molecular Formula	C6H3Br2NO2
Molecular Weight	280.90
XLogP	3
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	159

SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])Br

InChI

InChI=1S/C6H3Br2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

InChIKey

WRGKKASJBOREMB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3460-18-2

CID: 77004

Formula: C6H3Br2NO2

MW: 280.90

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.90
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	280.85100
Monoisotopic Mass	278.85305
Topological Polar Surface Area	45.8 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
FH 1W DI14-01	2,3-dibromo-1,4-dimethyl-5-nitrobenzene
FH SE 0023-01	4-methyl-1- (4-methylphenyl) -2-nitrobenzene
GT HW 3660-01	Dimethyl 4-nitrobenzene-1,2-dicarboxylate
FH 10 0020-01	1-iodo-4-nitrobenzene
FH HF 0101-01	1-benzhydryl-4-nitrobenzene
FH SE 0019-01	1- (2-iodo-4-methylphenyl) -4-methyl-2-nitrobenzene
FH 1W DI25-01	1-bromo-2,5-dimethyl-4-nitrobenzene
FH HF 0110-01	1-benzhydryl-2-nitrobenzene
FH 2C 0016-01	1-iodo-2-nitrobenzene
FH SE 0001-01	1- (2-iodophenyl) -2-nitrobenzene

Catalog	Name
sc-287215	1,2-Dibromo-4-nitrobenzene
274272-01	1,4-Dibromo-2-nitrobenzene
OR79367-01	2,4-Dibromo-1-nitrobenzene
BEA58070-01	1,2-Dibromo-4-methyl-5-nitrobenzene
PC102539-01	1,2-Dibromo-3-fluoro-4-nitrobenzene
FZC83648-01	1,4-Dibromo-2-chloro-5-nitrobenzene
PC1006127-01	1,3-Dibromo-2-fluoro-4-nitrobenzene
PC100113-01	1,2-Dibromo-4-fluoro-5-nitrobenzene
KJB58541-01	1,5-Dibromo-2-methoxy-4-nitrobenzene
DXC57013-01	1,3-Dibromo-2- (difluoromethoxy) -4-nitrobenzene