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131427-22-0 | 1H-Indazole, 3-(chloromethyl)-1-(phenylmethyl)-
CAS No: 131427-22-0 Catalog No: AG000W5R MDL No:MFCD20134218
Product Description
Catalog Number:
AG000W5R
Chemical Name:
1H-Indazole, 3-(chloromethyl)-1-(phenylmethyl)-
CAS Number:
131427-22-0
Molecular Formula:
C15H13ClN2
Molecular Weight:
256.7301
MDL Number:
MFCD20134218
IUPAC Name:
1-benzyl-3-(chloromethyl)indazole
InChI:
InChI=1S/C15H13ClN2/c16-10-14-13-8-4-5-9-15(13)18(17-14)11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
WUUJVTQUZJCUSE-UHFFFAOYSA-N
SMILES:
ClCc1nn(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.733g/mol
Monoisotopic Mass:
256.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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