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918408-05-6 | Quinoline, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-
CAS No: 918408-05-6 Catalog No: AG006G0S MDL No:
Product Description
Catalog Number:
AG006G0S
Chemical Name:
Quinoline, 4-(1H-pyrrol-2-yl-2H-pyrrol-2-ylidenemethyl)-
CAS Number:
918408-05-6
Molecular Formula:
C18H13N3
Molecular Weight:
271.3159
IUPAC Name:
4-[1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]quinoline
InChI:
InChI=1S/C18H13N3/c1-2-6-15-13(5-1)14(9-12-21-15)18(16-7-3-10-19-16)17-8-4-11-20-17/h1-12,19H
InChI Key:
RUNFVXYRIFUMGV-UHFFFAOYSA-N
SMILES:
C1=CC(=C(c2ccnc3c2cccc3)c2ccc[nH]2)N=C1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.323g/mol
Monoisotopic Mass:
271.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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