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13109-79-0 | 1H-Indazole, 3-(3-chloropropoxy)-1-(phenylmethyl)-
CAS No: 13109-79-0 Catalog No: AG000VIZ MDL No:
Product Description
Catalog Number:
AG000VIZ
Chemical Name:
1H-Indazole, 3-(3-chloropropoxy)-1-(phenylmethyl)-
CAS Number:
13109-79-0
Molecular Formula:
C17H17ClN2O
Molecular Weight:
300.7827
IUPAC Name:
1-benzyl-3-(3-chloropropoxy)indazole
InChI:
InChI=1S/C17H17ClN2O/c18-11-6-12-21-17-15-9-4-5-10-16(15)20(19-17)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2
InChI Key:
YNQQQYOFVFYADI-UHFFFAOYSA-N
SMILES:
ClCCCOc1nn(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.786g/mol
Monoisotopic Mass:
300.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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