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Home > Fluorides > 1240113-42-1
1240113-42-1 | 1H-Indole-5-carbonitrile, 4-fluoro-
CAS No: 1240113-42-1 Catalog No: AG000LEC MDL No:MFCD20687921
Product Description
Catalog Number:
AG000LEC
Chemical Name:
1H-Indole-5-carbonitrile, 4-fluoro-
CAS Number:
1240113-42-1
Molecular Formula:
C9H5FN2
Molecular Weight:
160.1478
MDL Number:
MFCD20687921
IUPAC Name:
4-fluoro-1H-indole-5-carbonitrile
InChI:
InChI=1S/C9H5FN2/c10-9-6(5-11)1-2-8-7(9)3-4-12-8/h1-4,12H
InChI Key:
MNWGXZUQFYDSGV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1F)cc[nH]2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.151g/mol
Monoisotopic Mass:
160.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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