4-Bromo-2-nitrophenol

CAT: 0127-OR3371-01Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR3371-01Size:5 g

Selected

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

Quick Request Actions

CAS Number

7693-52-9

Synonyms

2-Hydroxy-5-bromonitrobenzene

MDL Number

MFCD00082540

Purity

98%

Smiles

Oc1ccc(Br)cc1[N+](=O)[O-]

Chemical Information

4-Bromo-2-nitrophenol

CAS Number	7693-52-9
PubChem CID	24364
IUPAC Name	4-bromo-2-nitrophenol
Molecular Formula	C6H4BrNO3
Molecular Weight	218.00
XLogP	2.5
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

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

InChI

InChI=1S/C6H4BrNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H

InChIKey

CUTFAPGINUFNQM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7693-52-9

CID: 24364

Formula: C6H4BrNO3

MW: 218.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.00
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	216.93746
Monoisotopic Mass	216.93746
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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