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708-40-7 | 1-(6-Chloro-1H-indazol-1-yl);ethanone
CAS No: 708-40-7 Catalog No: AG005FTT MDL No:MFCD09878373
Product Description
Catalog Number:
AG005FTT
Chemical Name:
1-(6-Chloro-1H-indazol-1-yl);ethanone
CAS Number:
708-40-7
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD09878373
IUPAC Name:
1-(6-chloroindazol-1-yl)ethanone
InChI:
InChI=1S/C9H7ClN2O/c1-6(13)12-9-4-8(10)3-2-7(9)5-11-12/h2-5H,1H3
InChI Key:
PBUGDGXAYHVXBR-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)n(nc2)C(=O)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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