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1263374-36-2 | 2-Pyridinamine, 6-chloro-N-[(tetrahydro-2H-pyran-4-yl)methyl]-5-(trifluoromethyl)-
CAS No: 1263374-36-2 Catalog No: AG000SNU MDL No:
Product Description
Catalog Number:
AG000SNU
Chemical Name:
2-Pyridinamine, 6-chloro-N-[(tetrahydro-2H-pyran-4-yl)methyl]-5-(trifluoromethyl)-
CAS Number:
1263374-36-2
Molecular Formula:
C12H14ClF3N2O
Molecular Weight:
294.7006
IUPAC Name:
6-chloro-N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
InChI:
InChI=1S/C12H14ClF3N2O/c13-11-9(12(14,15)16)1-2-10(18-11)17-7-8-3-5-19-6-4-8/h1-2,8H,3-7H2,(H,17,18)
InChI Key:
LYWHTWSRWUBYOK-UHFFFAOYSA-N
SMILES:
FC(c1ccc(nc1Cl)NCC1CCOCC1)(F)F
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.702g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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