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177941-16-1 | 1H-Indazole-3-carboxylic acid, 5-(phenylmethoxy)-
CAS No: 177941-16-1 Catalog No: AG0025N6 MDL No:MFCD05663991
Product Description
Catalog Number:
AG0025N6
Chemical Name:
1H-Indazole-3-carboxylic acid, 5-(phenylmethoxy)-
CAS Number:
177941-16-1
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
MDL Number:
MFCD05663991
IUPAC Name:
5-phenylmethoxy-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C15H12N2O3/c18-15(19)14-12-8-11(6-7-13(12)16-17-14)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,18,19)
InChI Key:
NQAATCGJMPDXHK-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1cc(OCc1ccccc1)cc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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