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Home > Fluorides > 1190313-36-0
1190313-36-0 | 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 4-fluoro-
CAS No: 1190313-36-0 Catalog No: AG000HLA MDL No:
Product Description
Catalog Number:
AG000HLA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 4-fluoro-
CAS Number:
1190313-36-0
Molecular Formula:
C8H4FN3
Molecular Weight:
161.1359
IUPAC Name:
4-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C8H4FN3/c9-7-3-5(4-10)12-8-6(7)1-2-11-8/h1-3H,(H,11,12)
InChI Key:
DRGFWTZIWNNTBP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c2c(n1)[nH]cc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.139g/mol
Monoisotopic Mass:
161.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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