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Home > Indoles and Oxindole > 27005-52-3
27005-52-3 | 2-(2-Phenyl-1H-indol-3-yl)acetonitrile
CAS No: 27005-52-3 Catalog No: AG003HVK MDL No:
Product Description
Catalog Number:
AG003HVK
Chemical Name:
2-(2-Phenyl-1H-indol-3-yl)acetonitrile
CAS Number:
27005-52-3
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
IUPAC Name:
2-(2-phenyl-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C16H12N2/c17-11-10-14-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12/h1-9,18H,10H2
InChI Key:
CNAHOBNLHXZPRN-UHFFFAOYSA-N
SMILES:
N#CCc1c([nH]c2c1cccc2)c1ccccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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