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1227268-87-2 | 1H-Indazole, 3-chloro-5,7-dimethyl-
CAS No: 1227268-87-2 Catalog No: AG000J4L MDL No:
Product Description
Catalog Number:
AG000J4L
Chemical Name:
1H-Indazole, 3-chloro-5,7-dimethyl-
CAS Number:
1227268-87-2
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
IUPAC Name:
3-chloro-5,7-dimethyl-2H-indazole
InChI:
InChI=1S/C9H9ClN2/c1-5-3-6(2)8-7(4-5)9(10)12-11-8/h3-4H,1-2H3,(H,11,12)
InChI Key:
GGMHZCGTSBYDCH-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(Cl)n[nH]2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.635g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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