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1781051-95-3 | 1H-Indazole, 3-chloro-6-methoxy-1-methyl-
CAS No: 1781051-95-3 Catalog No: AG0025RJ MDL No:
Product Description
Catalog Number:
AG0025RJ
Chemical Name:
1H-Indazole, 3-chloro-6-methoxy-1-methyl-
CAS Number:
1781051-95-3
Molecular Formula:
C9H9ClN2O
Molecular Weight:
196.6336
IUPAC Name:
3-chloro-6-methoxy-1-methylindazole
InChI:
InChI=1S/C9H9ClN2O/c1-12-8-5-6(13-2)3-4-7(8)9(10)11-12/h3-5H,1-2H3
InChI Key:
WHXBIQLPEPQUQW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(C)nc2Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.634g/mol
Monoisotopic Mass:
196.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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