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1000341-16-1 | 1H-Indazole-5-carbonitrile, 3-chloro-
CAS No: 1000341-16-1 Catalog No: AG0000FX MDL No:MFCD09263217
Product Description
Catalog Number:
AG0000FX
Chemical Name:
1H-Indazole-5-carbonitrile, 3-chloro-
CAS Number:
1000341-16-1
Molecular Formula:
C8H4ClN3
Molecular Weight:
177.5905
MDL Number:
MFCD09263217
IUPAC Name:
3-chloro-2H-indazole-5-carbonitrile
InChI:
InChI=1S/C8H4ClN3/c9-8-6-3-5(4-10)1-2-7(6)11-12-8/h1-3H,(H,11,12)
InChI Key:
NOAQBEABNLUARM-UHFFFAOYSA-N
SMILES:
Clc1n[nH]c2c1cc(cc2)C#N
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:
2.2
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