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1585213-85-9 | 1H-Indazole-1-acetic acid, 3-(3-fluorophenyl)-, methyl ester
CAS No: 1585213-85-9 Catalog No: AG001Q9E MDL No:
Product Description
Catalog Number:
AG001Q9E
Chemical Name:
1H-Indazole-1-acetic acid, 3-(3-fluorophenyl)-, methyl ester
CAS Number:
1585213-85-9
Molecular Formula:
C16H13FN2O2
Molecular Weight:
284.2850
IUPAC Name:
methyl 2-[3-(3-fluorophenyl)indazol-1-yl]acetate
InChI:
InChI=1S/C16H13FN2O2/c1-21-15(20)10-19-14-8-3-2-7-13(14)16(18-19)11-5-4-6-12(17)9-11/h2-9H,10H2,1H3
InChI Key:
YOQFKOFRGDQQAQ-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1nc(c2c1cccc2)c1cccc(c1)F
Properties
Complexity:
379
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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