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Home > Nitro Compounds > 1882-47-9
1882-47-9 | Benzene, 1-methyl-4-(2-nitro-1-phenylethyl)-
CAS No: 1882-47-9 Catalog No: AG002GRS MDL No:
Product Description
Catalog Number:
AG002GRS
Chemical Name:
Benzene, 1-methyl-4-(2-nitro-1-phenylethyl)-
CAS Number:
1882-47-9
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
1-methyl-4-(2-nitro-1-phenylethyl)benzene
InChI:
InChI=1S/C15H15NO2/c1-12-7-9-14(10-8-12)15(11-16(17)18)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChI Key:
LOBGEAACSVHURG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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