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1423120-66-4 | 6-Chloroindole-5-carbonitrile
CAS No: 1423120-66-4 Catalog No: AG0034CP MDL No:MFCD23706334
Product Description
Catalog Number:
AG0034CP
Chemical Name:
6-Chloroindole-5-carbonitrile
CAS Number:
1423120-66-4
Molecular Formula:
C9H5ClN2
Molecular Weight:
176.6024
MDL Number:
MFCD23706334
IUPAC Name:
6-chloro-1H-indole-5-carbonitrile
InChI:
InChI=1S/C9H5ClN2/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-4,12H
InChI Key:
MRYYCCSCMQNXIG-UHFFFAOYSA-N
SMILES:
N#Cc1cc2cc[nH]c2cc1Cl
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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