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1250443-60-7 | 2-Pyridinemethanamine, 3-(trifluoromethyl)-, hydrochloride (1:2)
CAS No: 1250443-60-7 Catalog No: AG000N0V MDL No:
Product Description
Catalog Number:
AG000N0V
Chemical Name:
2-Pyridinemethanamine, 3-(trifluoromethyl)-, hydrochloride (1:2)
CAS Number:
1250443-60-7
Molecular Formula:
C7H9Cl2F3N2
Molecular Weight:
249.0610
IUPAC Name:
[3-(trifluoromethyl)pyridin-2-yl]methanamine;dihydrochloride
InChI:
InChI=1S/C7H7F3N2.2ClH/c8-7(9,10)5-2-1-3-12-6(5)4-11;;/h1-3H,4,11H2;2*1H
InChI Key:
ZXNRQSQBXPVKJY-UHFFFAOYSA-N
SMILES:
NCc1ncccc1C(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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