P-Nitrophenol 98% Extrapure

CAT: 1278-01864 00500Size: 500 gDry Ice: NoHazardous: No

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CAT#:1278-01864 00500Size:500 g

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CAS Number

100-02-7

HS Code

29089990

Packaging Group

Chemical Information

4-Nitrophenol

4-nitrophenol is a member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. It has a role as a mouse metabolite and a human xenobiotic metabolite. It is a conjugate acid of a 4-nitrophenolate.

CAS Number	100-02-7
PubChem CID	980
IUPAC Name	4-nitrophenol
Molecular Formula	C6H5NO3
Molecular Weight	139.11
XLogP	1.9
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	123

SMILES

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

InChI

InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

InChIKey

BTJIUGUIPKRLHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-02-7

CID: 980

Formula: C6H5NO3

MW: 139.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	139.11
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	139.026943022
Monoisotopic Mass	139.026943022
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	123
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

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P-Nitrophenol 98% Extrapure

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