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18031-67-9 | 3-Furancarbonitrile, 2-[[(4-nitrophenyl)methylene]amino]-4,5-diphenyl-
CAS No: 18031-67-9 Catalog No: AG0021WZ MDL No:
Product Description
Catalog Number:
AG0021WZ
Chemical Name:
3-Furancarbonitrile, 2-[[(4-nitrophenyl)methylene]amino]-4,5-diphenyl-
CAS Number:
18031-67-9
Molecular Formula:
C24H15N3O3
Molecular Weight:
393.3942
IUPAC Name:
2-[(4-nitrophenyl)methylideneamino]-4,5-diphenylfuran-3-carbonitrile
InChI:
InChI=1S/C24H15N3O3/c25-15-21-22(18-7-3-1-4-8-18)23(19-9-5-2-6-10-19)30-24(21)26-16-17-11-13-20(14-12-17)27(28)29/h1-14,16H
InChI Key:
IKQZCHVMMIOODJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(N=Cc2ccc(cc2)[N+](=O)[O-])oc(c1c1ccccc1)c1ccccc1
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.111g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.402g/mol
Monoisotopic Mass:
393.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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