CAS 601-89-8 | 2-Nitrobenzene-1,3-diol | CAS Number 601-89-8

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601-89-8 | 2-Nitrobenzene-1,3-diol

CAS No: 601-89-8 Catalog No: AG0033F0 MDL No:MFCD00007124

Product Description

Catalog Number:

AG0033F0

Chemical Name:

2-Nitrobenzene-1,3-diol

CAS Number:

601-89-8

Molecular Formula:

C6H5NO4

Molecular Weight:

155.1082

MDL Number:

MFCD00007124

IUPAC Name:

2-nitrobenzene-1,3-diol

InChI:

InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H

InChI Key:

ZLCPKMIJYMHZMJ-UHFFFAOYSA-N

SMILES:

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

EC Number:

210-010-9

NSC Number:

1542

Properties

Complexity:

145

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

155.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

155.109g/mol

Monoisotopic Mass:

155.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Genotoxic mechanisms for the carcinogenicity of the environmental pollutants and carcinogens o-anisidine and 2-nitroanisole follow from adducts generated by their metabolite N-(2-methoxyphenyl)-hydroxylamine with deoxyguanosine in DNA.	Interdisciplinary toxicology 20090301
Oxidation of carcinogenic 2-nitroanisole by rat cytochromes P450 - similarity between human and rat enzymes.	Interdisciplinary toxicology 20080901
Optical properties of hybrid dendritic-mesoporous titania nanocomposite films.	Chemistry (Weinheim an der Bergstrasse, Germany) 20080101
Oxidative detoxication of carcinogenic 2-nitroanisole by human, rat and rabbit cytochrome P450.	Neuro endocrinology letters 20061201
Study of photoinduced N-hydroxy-arylnitroxide radicals (ArNO*OH) by time-resolved EPR.	The journal of physical chemistry. A 20050113
Enzymes involved in the metabolism of the carcinogen 2-nitroanisole: evidence for its oxidative detoxication by human cytochromes P450.	Chemical research in toxicology 20040501