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1260382-96-4 | 1H-Pyrrolo[3,2-b]pyridine-3-carbonitrile, 5-chloro-
CAS No: 1260382-96-4 Catalog No: AG000QST MDL No:
Product Description
Catalog Number:
AG000QST
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carbonitrile, 5-chloro-
CAS Number:
1260382-96-4
Molecular Formula:
C8H4ClN3
Molecular Weight:
177.5905
IUPAC Name:
5-chloro-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C8H4ClN3/c9-7-2-1-6-8(12-7)5(3-10)4-11-6/h1-2,4,11H
InChI Key:
CVNLGLCYNMONKX-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1nc(Cl)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:
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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