CAS 5428-54-6 | Phenol, 2-methyl-5-nitro- | CAS Number 5428-54-6

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Nitro Compounds > 5428-54-6

5428-54-6 | Phenol, 2-methyl-5-nitro-

CAS No: 5428-54-6 Catalog No: AG00I9P4 MDL No:MFCD00043909

Product Description

Catalog Number:

AG00I9P4

Chemical Name:

Phenol, 2-methyl-5-nitro-

CAS Number:

5428-54-6

Molecular Formula:

C7H7NO3

Molecular Weight:

153.1354

MDL Number:

MFCD00043909

IUPAC Name:

2-methyl-5-nitrophenol

InChI:

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

InChI Key:

UMFDLIXUUJMPSI-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(c(c1)O)C

EC Number:

226-580-7

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:

1.8

Literature

Title	Journal
Mutagenic activities of a chlorination by-product of butamifos, its structural isomer, and their related compounds.	Chemosphere 20100101
Pairwise-substitution effects and intramolecular hydrogen bonds in nitrophenols and methylnitrophenols. Thermochemical measurements and ab initio calculations.	The journal of physical chemistry. A 20070719