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692287-46-0 | (2Z)-3-[4-(3-formyl-1H-indol-1-yl)phenyl]-2-(1-methyl-1H-pyrrol-2-yl)prop-2-enenitrile
CAS No: 692287-46-0 Catalog No: AG00IRMH MDL No:MFCD03102554
Product Description
Catalog Number:
AG00IRMH
Chemical Name:
(2Z)-3-[4-(3-formyl-1H-indol-1-yl)phenyl]-2-(1-methyl-1H-pyrrol-2-yl)prop-2-enenitrile
CAS Number:
692287-46-0
Molecular Formula:
C23H17N3O
Molecular Weight:
351.4006
MDL Number:
MFCD03102554
IUPAC Name:
(Z)-3-[4-(3-formylindol-1-yl)phenyl]-2-(1-methylpyrrol-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C23H17N3O/c1-25-12-4-7-22(25)18(14-24)13-17-8-10-20(11-9-17)26-15-19(16-27)21-5-2-3-6-23(21)26/h2-13,15-16H,1H3/b18-13+
InChI Key:
QDUXANZLFBAZKL-QGOAFFKASA-N
SMILES:
N#C/C(=C\c1ccc(cc1)n1cc(c2c1cccc2)C=O)/c1cccn1C
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
351.137g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.409g/mol
Monoisotopic Mass:
351.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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