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Home > Nitro Compounds > 89-58-7
89-58-7 | 1,4-Dimethyl-2-nitrobenzene
CAS No: 89-58-7 Catalog No: AG003XOE MDL No:MFCD00024284
Product Description
Catalog Number:
AG003XOE
Chemical Name:
1,4-Dimethyl-2-nitrobenzene
CAS Number:
89-58-7
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00024284
IUPAC Name:
1,4-dimethyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3
InChI Key:
BSFHJMGROOFSRA-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])C
EC Number:
201-920-7
UNII:
H2AU67681F
NSC Number:
5591
UN Number:
1665
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and characterization of nitro-p-xylenes. | Molecules (Basel, Switzerland) 20050831 |
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