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Home > Nitro Compounds > 74362-00-8
74362-00-8 | 1-Pentanone, 4-methyl-4-nitro-1-phenyl-3-(4-pyridinyl)-
CAS No: 74362-00-8 Catalog No: AG005C1T MDL No:
Product Description
Catalog Number:
AG005C1T
Chemical Name:
1-Pentanone, 4-methyl-4-nitro-1-phenyl-3-(4-pyridinyl)-
CAS Number:
74362-00-8
Molecular Formula:
C17H18N2O3
Molecular Weight:
298.3364
IUPAC Name:
4-methyl-4-nitro-1-phenyl-3-pyridin-4-ylpentan-1-one
InChI:
InChI=1S/C17H18N2O3/c1-17(2,19(21)22)15(13-8-10-18-11-9-13)12-16(20)14-6-4-3-5-7-14/h3-11,15H,12H2,1-2H3
InChI Key:
PILUKBWAIAZERI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(C([N+](=O)[O-])(C)C)c1ccncc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.342g/mol
Monoisotopic Mass:
298.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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