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Home Other Building Blocks 2-Nitroresorcinol

2-Nitroresorcinol

CAS No.:
601-89-8
Catalog Number:
AG0033F0
Molecular Formula:
C6H5NO4
Molecular Weight:
155.1082
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$113
- +
500g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG0033F0
Chemical Name:
2-Nitroresorcinol
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.022g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.109g/mol
Monoisotopic Mass:
155.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties