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Home > Nitro Compounds > 126760-70-1
126760-70-1 | Benzene, 1,3,5-trimethyl-2-(2-nitro-1-propen-1-yl)-
CAS No: 126760-70-1 Catalog No: AG000T6Y MDL No:
Product Description
Catalog Number:
AG000T6Y
Chemical Name:
Benzene, 1,3,5-trimethyl-2-(2-nitro-1-propen-1-yl)-
CAS Number:
126760-70-1
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
1,3,5-trimethyl-2-(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C12H15NO2/c1-8-5-9(2)12(10(3)6-8)7-11(4)13(14)15/h5-7H,1-4H3
InChI Key:
CILKZWLODIJOFN-UHFFFAOYSA-N
SMILES:
CC(=Cc1c(C)cc(cc1C)C)[N+](=O)[O-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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