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Home > Fluorides > 141135-81-1
141135-81-1 | 1H-Indole-3-carbonitrile, 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-
CAS No: 141135-81-1 Catalog No: AG001FZ9 MDL No:
Product Description
Catalog Number:
AG001FZ9
Chemical Name:
1H-Indole-3-carbonitrile, 1-hydroxy-2-[4-(trifluoromethyl)phenyl]-
CAS Number:
141135-81-1
Molecular Formula:
C16H9F3N2O
Molecular Weight:
302.2507
IUPAC Name:
1-hydroxy-2-[4-(trifluoromethyl)phenyl]indole-3-carbonitrile
InChI:
InChI=1S/C16H9F3N2O/c17-16(18,19)11-7-5-10(6-8-11)15-13(9-20)12-3-1-2-4-14(12)21(15)22/h1-8,22H
InChI Key:
QSIOIOLLRSZDFF-UHFFFAOYSA-N
SMILES:
N#Cc1c(c2ccc(cc2)C(F)(F)F)n(c2c1cccc2)O
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.256g/mol
Monoisotopic Mass:
302.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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