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Home > Nitro Compounds > 79257-73-1
79257-73-1 | Benzene, 1-methyl-4-(2-methyl-2-nitropropyl)-
CAS No: 79257-73-1 Catalog No: AG0059XO MDL No:
Product Description
Catalog Number:
AG0059XO
Chemical Name:
Benzene, 1-methyl-4-(2-methyl-2-nitropropyl)-
CAS Number:
79257-73-1
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
1-methyl-4-(2-methyl-2-nitropropyl)benzene
InChI:
InChI=1S/C11H15NO2/c1-9-4-6-10(7-5-9)8-11(2,3)12(13)14/h4-7H,8H2,1-3H3
InChI Key:
VZIIZGVHKGXSNL-UHFFFAOYSA-N
SMILES:
CC([N+](=O)[O-])(Cc1ccc(cc1)C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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