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7468-77-1 | N-(3,3-DIPHENYLPENTAN-2-YLIDENEAMINO)-2,4-DINITRO-ANILINE
CAS No: 7468-77-1 Catalog No: AG005IFJ MDL No:
Product Description
Catalog Number:
AG005IFJ
Chemical Name:
N-(3,3-DIPHENYLPENTAN-2-YLIDENEAMINO)-2,4-DINITRO-ANILINE
CAS Number:
7468-77-1
Molecular Formula:
C23H22N4O4
Molecular Weight:
418.4452
IUPAC Name:
N-(3,3-diphenylpentan-2-ylideneamino)-2,4-dinitroaniline
InChI:
InChI=1S/C23H22N4O4/c1-3-23(18-10-6-4-7-11-18,19-12-8-5-9-13-19)17(2)24-25-21-15-14-20(26(28)29)16-22(21)27(30)31/h4-16,25H,3H2,1-2H3
InChI Key:
BZPYOPJZSDFPPH-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)(c1ccccc1)C(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.164g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.453g/mol
Monoisotopic Mass:
418.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.1
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