CAS 25168-04-1 | Benzene, dimethylnitro- | CAS Number 25168-04-1

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25168-04-1 | Benzene, dimethylnitro-

CAS No: 25168-04-1 Catalog No: AG002QQB MDL No:

Product Description

Catalog Number:

AG002QQB

Chemical Name:

Benzene, dimethylnitro-

CAS Number:

25168-04-1

Molecular Formula:

C8H9NO2

Molecular Weight:

151.1626

IUPAC Name:

1,2-dimethyl-3-nitrobenzene

InChI:

InChI=1S/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3

InChI Key:

FVHAWXWFPBPFOS-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc(c1C)C

UNII:

49GNX4CY5W

NSC Number:

5402

UN Number:

1665

Properties

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

151.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

151.165g/mol

Monoisotopic Mass:

151.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Blood gene expression markers to detect and distinguish target organ toxicity.	Molecular and cellular biochemistry 20100201
Synthesis and biological activities of 4-trifluoromethylindole-3-acetic acid: a new fluorinated indole auxin.	Bioscience, biotechnology, and biochemistry 20080801