200,000+ products from a single source!
sales@angenechem.com
851314-56-2 | 1-Benzyl-5,5-difluoro-4-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylic acid ethyl ester
CAS No: 851314-56-2 Catalog No: AG003AJK MDL No:MFCD21608040
Product Description
Catalog Number:
AG003AJK
Chemical Name:
1-Benzyl-5,5-difluoro-4-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylic acid ethyl ester
CAS Number:
851314-56-2
Molecular Formula:
C15H17F2NO3
Molecular Weight:
297.2972
MDL Number:
MFCD21608040
IUPAC Name:
ethyl 1-benzyl-5,5-difluoro-4-hydroxy-2,6-dihydropyridine-3-carboxylate
InChI:
InChI=1S/C15H17F2NO3/c1-2-21-14(20)12-9-18(10-15(16,17)13(12)19)8-11-6-4-3-5-7-11/h3-7,19H,2,8-10H2,1H3
InChI Key:
CUMBYEZOZCEUMO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(O)C(CN(C1)Cc1ccccc1)(F)F
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.118g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.302g/mol
Monoisotopic Mass:
297.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.