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1312008-67-5 | 1H-Indazole-5-carbonitrile, 6-chloro-
CAS No: 1312008-67-5 Catalog No: AG000VPY MDL No:
Product Description
Catalog Number:
AG000VPY
Chemical Name:
1H-Indazole-5-carbonitrile, 6-chloro-
CAS Number:
1312008-67-5
Molecular Formula:
C8H4ClN3
Molecular Weight:
177.5905
IUPAC Name:
6-chloro-1H-indazole-5-carbonitrile
InChI:
InChI=1S/C8H4ClN3/c9-7-2-8-6(4-11-12-8)1-5(7)3-10/h1-2,4H,(H,11,12)
InChI Key:
BEDCZLCJIAHDKS-UHFFFAOYSA-N
SMILES:
N#Cc1cc2cn[nH]c2cc1Cl
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:
1.9
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