CAS 12167-20-3 | Phenol, methylnitro- | CAS Number 12167-20-3

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12167-20-3 | Phenol, methylnitro-

CAS No: 12167-20-3 Catalog No: AG0015JN MDL No:

Product Description

Catalog Number:

AG0015JN

Chemical Name:

Phenol, methylnitro-

CAS Number:

12167-20-3

Molecular Formula:

C7H7NO3

Molecular Weight:

153.1354

IUPAC Name:

4-methyl-2-nitrophenol

InChI:

InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3

InChI Key:

SYDNSSSQVSOXTN-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(C)cccc1O

EC Number:

204-315-6

UNII:

P92KPK2NL3

UN Number:

2446

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

153.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

153.137g/mol

Monoisotopic Mass:

153.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Near-ultraviolet absorption cross sections of nitrophenols and their potential influence on tropospheric oxidation capacity.	The journal of physical chemistry. A 20111110
Investigations on the gas-phase photolysis and OH radical kinetics of methyl-2-nitrophenols.	Physical chemistry chemical physics : PCCP 20071114
Abatement and degradation pathways of toluene in indoor air by positive corona discharge.	Chemosphere 20070801
Solid-phase microextraction and gas chromatography-mass spectrometry for analysis of phenols and nitrophenols in rainwater, as their t-butyldimethylsilyl derivatives.	Analytical and bioanalytical chemistry 20070401
Effect of natural phenol derivatives on skeletal type sarcoplasmic reticulum Ca2+ -ATPase and ryanodine receptor.	Journal of muscle research and cell motility 20070101
Spatial and geographical variations of urban, suburban and rural atmospheric concentrations of phenols and nitrophenols.	Environmental science and pollution research international 20060301
Metabolism and excretion of 2-nitro-p-cresol in rats.	Archives of toxicology 20021201