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794461-82-8

794461-82-8 | 1,6-Naphthyridine-3-carboxylicacid, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-, ethyl ester

CAS No: 794461-82-8 Catalog No: AG0051UH MDL No:

Product Description

Catalog Number:
AG0051UH
Chemical Name:
1,6-Naphthyridine-3-carboxylicacid, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-, ethyl ester
CAS Number:
794461-82-8
Molecular Formula:
C11H11F3N2O2
Molecular Weight:
260.2124
IUPAC Name:
methyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
InChI:
InChI=1S/C11H11F3N2O2/c1-18-10(17)7-4-6-5-15-3-2-8(6)16-9(7)11(12,13)14/h4,15H,2-3,5H2,1H3
InChI Key:
ROHRKMIUPOLEBP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2CNCCc2nc1C(F)(F)F

Properties

Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.216g/mol
Monoisotopic Mass:
260.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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