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1585213-73-5 | 1H-Indazole-1-acetic acid, 5-fluoro-3-phenyl-, methyl ester
CAS No: 1585213-73-5 Catalog No: AG001Q9F MDL No:
Product Description
Catalog Number:
AG001Q9F
Chemical Name:
1H-Indazole-1-acetic acid, 5-fluoro-3-phenyl-, methyl ester
CAS Number:
1585213-73-5
Molecular Formula:
C16H13FN2O2
Molecular Weight:
284.2850
IUPAC Name:
methyl 2-(5-fluoro-3-phenylindazol-1-yl)acetate
InChI:
InChI=1S/C16H13FN2O2/c1-21-15(20)10-19-14-8-7-12(17)9-13(14)16(18-19)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
NRDWIHDTVGETIL-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1nc(c2c1ccc(c2)F)c1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.29g/mol
Monoisotopic Mass:
284.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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