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1245916-03-3 | 3-Pyridinemethanamine, 2-chloro-5-(trifluoromethyl)-
CAS No: 1245916-03-3 Catalog No: AG000MFR MDL No:
Product Description
Catalog Number:
AG000MFR
Chemical Name:
3-Pyridinemethanamine, 2-chloro-5-(trifluoromethyl)-
CAS Number:
1245916-03-3
Molecular Formula:
C7H6ClF3N2
Molecular Weight:
210.5841
IUPAC Name:
[2-chloro-5-(trifluoromethyl)pyridin-3-yl]methanamine
InChI:
InChI=1S/C7H6ClF3N2/c8-6-4(2-12)1-5(3-13-6)7(9,10)11/h1,3H,2,12H2
InChI Key:
WIRMOJILHTVRHQ-UHFFFAOYSA-N
SMILES:
NCc1cc(cnc1Cl)C(F)(F)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.584g/mol
Monoisotopic Mass:
210.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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