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Home > Fluorides > 1235865-75-4
1235865-75-4 | Benzoic acid, 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, methyl ester
CAS No: 1235865-75-4 Catalog No: AG000KT5 MDL No:MFCD28129691
Product Description
Catalog Number:
AG000KT5
Chemical Name:
Benzoic acid, 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, methyl ester
CAS Number:
1235865-75-4
Molecular Formula:
C15H11FN2O3
Molecular Weight:
286.2578
MDL Number:
MFCD28129691
IUPAC Name:
methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
InChI:
InChI=1S/C15H11FN2O3/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11/h2-8H,1H3,(H,17,18)
InChI Key:
WOXIJNIAUMZYEL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Oc1cnc2c(c1)cc[nH]2)F
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.262g/mol
Monoisotopic Mass:
286.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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