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149591-34-4 | 2H-Indazole-3-carbonyl chloride, 4,5,6,7-tetrahydro-2-methyl-
CAS No: 149591-34-4 Catalog No: AG001LUX MDL No:
Product Description
Catalog Number:
AG001LUX
Chemical Name:
2H-Indazole-3-carbonyl chloride, 4,5,6,7-tetrahydro-2-methyl-
CAS Number:
149591-34-4
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
IUPAC Name:
2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl chloride
InChI:
InChI=1S/C9H11ClN2O/c1-12-8(9(10)13)6-4-2-3-5-7(6)11-12/h2-5H2,1H3
InChI Key:
MMBGZHDUHPJZIM-UHFFFAOYSA-N
SMILES:
ClC(=O)c1n(C)nc2c1CCCC2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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