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1421252-91-6 | 1H-Indazole, 4-chloro-3,5-dimethyl-
CAS No: 1421252-91-6 Catalog No: AG001HT9 MDL No:
Product Description
Catalog Number:
AG001HT9
Chemical Name:
1H-Indazole, 4-chloro-3,5-dimethyl-
CAS Number:
1421252-91-6
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
IUPAC Name:
4-chloro-3,5-dimethyl-2H-indazole
InChI:
InChI=1S/C9H9ClN2/c1-5-3-4-7-8(9(5)10)6(2)11-12-7/h3-4H,1-2H3,(H,11,12)
InChI Key:
QQJGEKZJZBUPFF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1Cl)c(C)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:
2.9
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