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1021339-16-1 | 1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 5-chloro-
CAS No: 1021339-16-1 Catalog No: AG0006PN MDL No:MFCD09965883
Product Description
Catalog Number:
AG0006PN
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carbonitrile, 5-chloro-
CAS Number:
1021339-16-1
Molecular Formula:
C8H4ClN3
Molecular Weight:
177.5905
MDL Number:
MFCD09965883
IUPAC Name:
5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
InChI:
InChI=1S/C8H4ClN3/c9-7-4-12-8-5(1-2-11-8)6(7)3-10/h1-2,4H,(H,11,12)
InChI Key:
QZZVPRNKVJBGKM-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cnc2c1cc[nH]2
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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