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1413066-31-5 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 6-(2-chlorophenyl)-
CAS No: 1413066-31-5 Catalog No: AG001G6N MDL No:
Product Description
Catalog Number:
AG001G6N
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 6-(2-chlorophenyl)-
CAS Number:
1413066-31-5
Molecular Formula:
C14H8ClN3
Molecular Weight:
253.6864
IUPAC Name:
6-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C14H8ClN3/c15-12-4-2-1-3-11(12)13-6-5-10-9(7-16)8-17-14(10)18-13/h1-6,8H,(H,17,18)
InChI Key:
MOIQDALPSFTNKY-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1ccc(n2)c1ccccc1Cl
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.689g/mol
Monoisotopic Mass:
253.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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