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1190322-46-3 | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-chloro-
CAS No: 1190322-46-3 Catalog No: AG000I1V MDL No:MFCD12962893
Product Description
Catalog Number:
AG000I1V
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-chloro-
CAS Number:
1190322-46-3
Molecular Formula:
C8H4ClN3
Molecular Weight:
177.5905
MDL Number:
MFCD12962893
IUPAC Name:
3-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C8H4ClN3/c9-7-4-12-8-6(7)1-5(2-10)3-11-8/h1,3-4H,(H,11,12)
InChI Key:
LWSFJQDGVKEJMP-UHFFFAOYSA-N
SMILES:
Clc1c[nH]c2c1cc(cn2)C#N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.591g/mol
Monoisotopic Mass:
177.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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