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872706-16-6 | 1H-Pyrrole-3-carbonitrile, 2-(4-chlorophenyl)-5-[(phenylimino)methyl]-
CAS No: 872706-16-6 Catalog No: AG004PGL MDL No:
Product Description
Catalog Number:
AG004PGL
Chemical Name:
1H-Pyrrole-3-carbonitrile, 2-(4-chlorophenyl)-5-[(phenylimino)methyl]-
CAS Number:
872706-16-6
Molecular Formula:
C18H12ClN3
Molecular Weight:
305.7610
IUPAC Name:
2-(4-chlorophenyl)-5-(phenyliminomethyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C18H12ClN3/c19-15-8-6-13(7-9-15)18-14(11-20)10-17(22-18)12-21-16-4-2-1-3-5-16/h1-10,12,22H
InChI Key:
SLUBPVJOWIBFJT-UHFFFAOYSA-N
SMILES:
N#Cc1cc([nH]c1c1ccc(cc1)Cl)C=Nc1ccccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.765g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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