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1782000-02-5 | 1H-Indole-2-carbonitrile, 6-chloro-
CAS No: 1782000-02-5 Catalog No: AG0025TM MDL No:MFCD27922771
Product Description
Catalog Number:
AG0025TM
Chemical Name:
1H-Indole-2-carbonitrile, 6-chloro-
CAS Number:
1782000-02-5
Molecular Formula:
C9H5ClN2
Molecular Weight:
176.6024
MDL Number:
MFCD27922771
IUPAC Name:
6-chloro-1H-indole-2-carbonitrile
InChI:
InChI=1S/C9H5ClN2/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4,12H
InChI Key:
RGUBXNFQDUMXLL-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c([nH]1)cc(cc2)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:
2.7
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