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Home > Nitro Compounds > 127502-68-5
127502-68-5 | 1,1'-Biphenyl, 3-(1-methylethyl)-4-nitro-
CAS No: 127502-68-5 Catalog No: AG000X4N MDL No:
Product Description
Catalog Number:
AG000X4N
Chemical Name:
1,1'-Biphenyl, 3-(1-methylethyl)-4-nitro-
CAS Number:
127502-68-5
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
1-nitro-4-phenyl-2-propan-2-ylbenzene
InChI:
InChI=1S/C15H15NO2/c1-11(2)14-10-13(8-9-15(14)16(17)18)12-6-4-3-5-7-12/h3-11H,1-2H3
InChI Key:
PAJCYCRYYXXXOM-UHFFFAOYSA-N
SMILES:
CC(c1cc(ccc1[N+](=O)[O-])c1ccccc1)C
Properties
Complexity:
279
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:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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