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Home > Nitro Compounds > 89706-88-7
89706-88-7 | 1-Pentanone, 4-methyl-4-nitro-1,3,5-triphenyl-
CAS No: 89706-88-7 Catalog No: AG0042LJ MDL No:
Product Description
Catalog Number:
AG0042LJ
Chemical Name:
1-Pentanone, 4-methyl-4-nitro-1,3,5-triphenyl-
CAS Number:
89706-88-7
Molecular Formula:
C24H23NO3
Molecular Weight:
373.4443
IUPAC Name:
4-methyl-4-nitro-1,3,5-triphenylpentan-1-one
InChI:
InChI=1S/C24H23NO3/c1-24(25(27)28,18-19-11-5-2-6-12-19)22(20-13-7-3-8-14-20)17-23(26)21-15-9-4-10-16-21/h2-16,22H,17-18H2,1H3
InChI Key:
NRWDTVMWHLZLMB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(C([N+](=O)[O-])(Cc1ccccc1)C)c1ccccc1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.168g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.452g/mol
Monoisotopic Mass:
373.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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