Home Carboxys 1H-Indazole-3-carboxylic acid, 1-(phenylmethyl)-

1H-Indazole-3-carboxylic acid, 1-(phenylmethyl)-

CAS No.:
41354-03-4
Catalog Number:
AG00I836
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
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Product Description
Catalog Number:
AG00I836
Chemical Name:
1H-Indazole-3-carboxylic acid, 1-(phenylmethyl)-
CAS Number:
41354-03-4
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
MDL Number:
MFCD01631170
IUPAC Name:
1-benzylindazole-3-carboxylic acid
InChI:
InChI=1S/C15H12N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChI Key:
CDRCOZFGMPTGBL-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Discovery of the 2-phenyl-4,5,6,7-Tetrahydro-1H-indole as a novel anti-hepatitis C virus targeting scaffold. European journal of medicinal chemistry 20150101
Properties