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2341-25-5 | 1H-Indole-3-acetonitrile, 6-fluoro-
CAS No: 2341-25-5 Catalog No: AG002N5H MDL No:MFCD09756481
Product Description
Catalog Number:
AG002N5H
Chemical Name:
1H-Indole-3-acetonitrile, 6-fluoro-
CAS Number:
2341-25-5
Molecular Formula:
C10H7FN2
Molecular Weight:
174.1744
MDL Number:
MFCD09756481
IUPAC Name:
2-(6-fluoro-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H7FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3H2
InChI Key:
PLNHDPOPGAMJAW-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1ccc(c2)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.178g/mol
Monoisotopic Mass:
174.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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