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Home > Nitro Compounds > 1012-18-6
1012-18-6 | Benzene, 1-(2-methyl-1-propen-1-yl)-4-nitro-
CAS No: 1012-18-6 Catalog No: AG0003XX MDL No:
Product Description
Catalog Number:
AG0003XX
Chemical Name:
Benzene, 1-(2-methyl-1-propen-1-yl)-4-nitro-
CAS Number:
1012-18-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
1-(2-methylprop-1-enyl)-4-nitrobenzene
InChI:
InChI=1S/C10H11NO2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-7H,1-2H3
InChI Key:
VRNNZQZWZXBLSY-UHFFFAOYSA-N
SMILES:
CC(=Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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