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1303968-41-3

1303968-41-3 | 2-Pyridinemethanamine, 4-(trifluoromethyl)-, hydrochloride (1:2)

CAS No: 1303968-41-3 Catalog No: AG000UCT MDL No:MFCD18914382

Product Description

Catalog Number:
AG000UCT
Chemical Name:
2-Pyridinemethanamine, 4-(trifluoromethyl)-, hydrochloride (1:2)
CAS Number:
1303968-41-3
Molecular Formula:
C7H9Cl2F3N2
Molecular Weight:
249.0610
MDL Number:
MFCD18914382
IUPAC Name:
[4-(trifluoromethyl)pyridin-2-yl]methanamine;dihydrochloride
InChI:
InChI=1S/C7H7F3N2.2ClH/c8-7(9,10)5-1-2-12-6(3-5)4-11;;/h1-3H,4,11H2;2*1H
InChI Key:
YSPLBTPWLDROMH-UHFFFAOYSA-N
SMILES:
NCc1nccc(c1)C(F)(F)F.Cl.Cl

Properties

Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.009g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
249.058g/mol
Monoisotopic Mass:
248.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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