CAS 2423-71-4 | 2,6-Dimethyl-4-nitrophenol | CAS Number 2423-71-4

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2423-71-4 | 2,6-Dimethyl-4-nitrophenol

CAS No: 2423-71-4 Catalog No: AG003G5I MDL No:MFCD00007339

Product Description

Catalog Number:

AG003G5I

Chemical Name:

2,6-Dimethyl-4-nitrophenol

CAS Number:

2423-71-4

Molecular Formula:

C8H9NO3

Molecular Weight:

167.1620

MDL Number:

MFCD00007339

IUPAC Name:

2,6-dimethyl-4-nitrophenol

InChI:

InChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3

InChI Key:

FNORUNUDZNWQFF-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(C)c(c(c1)C)O

EC Number:

219-353-9

NSC Number:

2990

Properties

Complexity:

166

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.164g/mol

Monoisotopic Mass:

167.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Kinetics and mechanism of 2,6-dimethyl-aniline degradation by hydroxyl radicals.	Journal of hazardous materials 20091230
Solvation of nitrophenol isomers: consequences for solute electronic structure and alkane/water partitioning.	The journal of physical chemistry. B 20090122
Identification of estrogenic/anti-estrogenic compounds in diesel exhaust particulate extract.	Biomedical chromatography : BMC 20071101