4-Chloro-2-nitrophenol

CAT: 0024-sc-232552Size: 250 gDry Ice: NoHazardous: No

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CAT#:0024-sc-232552Size:250 g

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CAS Number

89-64-5

Chemical Information

4-Chloro-2-nitrophenol

CAS Number	89-64-5
PubChem CID	6980
IUPAC Name	4-chloro-2-nitrophenol
Molecular Formula	C6H4ClNO3
Molecular Weight	173.55
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=C1Cl)[N+](=O)[O-])O

InChI

InChI=1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H

InChIKey

NWSIFTLPLKCTSX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89-64-5

CID: 6980

Formula: C6H4ClNO3

MW: 173.55

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	173.55
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	172.9879707
Monoisotopic Mass	172.9879707
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