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162502-53-6 | 1H-Indazole, 4-chloro-1-methyl-
CAS No: 162502-53-6 Catalog No: AG001T7C MDL No:MFCD09998749
Product Description
Catalog Number:
AG001T7C
Chemical Name:
1H-Indazole, 4-chloro-1-methyl-
CAS Number:
162502-53-6
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
MDL Number:
MFCD09998749
IUPAC Name:
4-chloro-1-methylindazole
InChI:
InChI=1S/C8H7ClN2/c1-11-8-4-2-3-7(9)6(8)5-10-11/h2-5H,1H3
InChI Key:
KTULONOQBDLTCJ-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1cnn2C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.608g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis of a TRPV1 receptor antagonist. | The Journal of organic chemistry 20091218 |
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