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1017781-90-6 | 1H-Indazole, 3-chloro-1-(3-pyridinylmethyl)-
CAS No: 1017781-90-6 Catalog No: AG0005IL MDL No:MFCD09997802
Product Description
Catalog Number:
AG0005IL
Chemical Name:
1H-Indazole, 3-chloro-1-(3-pyridinylmethyl)-
CAS Number:
1017781-90-6
Molecular Formula:
C13H10ClN3
Molecular Weight:
243.6916
MDL Number:
MFCD09997802
IUPAC Name:
3-chloro-1-(pyridin-3-ylmethyl)indazole
InChI:
InChI=1S/C13H10ClN3/c14-13-11-5-1-2-6-12(11)17(16-13)9-10-4-3-7-15-8-10/h1-8H,9H2
InChI Key:
YQMJWQAMAMMOIO-UHFFFAOYSA-N
SMILES:
Clc1nn(c2c1cccc2)Cc1cccnc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.694g/mol
Monoisotopic Mass:
243.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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