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1578-97-8 | 1H-Indazole, 3-(chloromethyl)-1-methyl-
CAS No: 1578-97-8 Catalog No: AG001PPP MDL No:MFCD08060497
Product Description
Catalog Number:
AG001PPP
Chemical Name:
1H-Indazole, 3-(chloromethyl)-1-methyl-
CAS Number:
1578-97-8
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD08060497
IUPAC Name:
3-(chloromethyl)-1-methylindazole
InChI:
InChI=1S/C9H9ClN2/c1-12-9-5-3-2-4-7(9)8(6-10)11-12/h2-5H,6H2,1H3
InChI Key:
LYLGQIOTMAQQEB-UHFFFAOYSA-N
SMILES:
ClCc1nn(c2c1cccc2)C
Properties
Complexity:
163
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:
0
Isotope Atom Count:
0
Molecular Weight:
180.635g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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