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1167056-48-5 | 1H-Indole-4-carbonitrile, 7-chloro-
CAS No: 1167056-48-5 Catalog No: AG000D49 MDL No:
Product Description
Catalog Number:
AG000D49
Chemical Name:
1H-Indole-4-carbonitrile, 7-chloro-
CAS Number:
1167056-48-5
Molecular Formula:
C9H5ClN2
Molecular Weight:
176.6024
IUPAC Name:
7-chloro-1H-indole-4-carbonitrile
InChI:
InChI=1S/C9H5ClN2/c10-8-2-1-6(5-11)7-3-4-12-9(7)8/h1-4,12H
InChI Key:
UUUAYDLVGICAST-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cc[nH]2)Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.603g/mol
Monoisotopic Mass:
176.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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