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1419101-03-3 | 1(2H)-Pyridinecarboxylic acid, 3-fluoro-3,6-dihydro-, phenylmethyl ester
CAS No: 1419101-03-3 Catalog No: AG001HD4 MDL No:MFCD23106441
Product Description
Catalog Number:
AG001HD4
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3-fluoro-3,6-dihydro-, phenylmethyl ester
CAS Number:
1419101-03-3
Molecular Formula:
C13H14FNO2
Molecular Weight:
235.2542
MDL Number:
MFCD23106441
IUPAC Name:
benzyl 3-fluoro-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C13H14FNO2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-7,12H,8-10H2
InChI Key:
WERNXLLMQDGBRF-UHFFFAOYSA-N
SMILES:
FC1C=CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.258g/mol
Monoisotopic Mass:
235.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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