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Home > Fluorides > 1167055-88-0
1167055-88-0 | 1H-Indole-7-carbonitrile, 4,5-difluoro-
CAS No: 1167055-88-0 Catalog No: AG000D1N MDL No:
Product Description
Catalog Number:
AG000D1N
Chemical Name:
1H-Indole-7-carbonitrile, 4,5-difluoro-
CAS Number:
1167055-88-0
Molecular Formula:
C9H4F2N2
Molecular Weight:
178.1383
IUPAC Name:
4,5-difluoro-1H-indole-7-carbonitrile
InChI:
InChI=1S/C9H4F2N2/c10-7-3-5(4-12)9-6(8(7)11)1-2-13-9/h1-3,13H
InChI Key:
FVKXSDGBBRTHLC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c2c1[nH]cc2)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.142g/mol
Monoisotopic Mass:
178.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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