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1373503-79-7 | 3-Pyridinecarboxylic acid, 5,5-difluoro-1,2,5,6-tetrahydro-1-(phenylmethyl)-, ethyl ester
CAS No: 1373503-79-7 Catalog No: AG00135T MDL No:MFCD22199428
Product Description
Catalog Number:
AG00135T
Chemical Name:
3-Pyridinecarboxylic acid, 5,5-difluoro-1,2,5,6-tetrahydro-1-(phenylmethyl)-, ethyl ester
CAS Number:
1373503-79-7
Molecular Formula:
C15H17F2NO2
Molecular Weight:
281.2978
MDL Number:
MFCD22199428
IUPAC Name:
ethyl 1-benzyl-5,5-difluoro-2,6-dihydropyridine-3-carboxylate
InChI:
InChI=1S/C15H17F2NO2/c1-2-20-14(19)13-8-15(16,17)11-18(10-13)9-12-6-4-3-5-7-12/h3-8H,2,9-11H2,1H3
InChI Key:
VTZOCJWETIAZFF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=CC(CN(C1)Cc1ccccc1)(F)F
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.303g/mol
Monoisotopic Mass:
281.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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