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1016812-51-3 | {[3-(Trifluoromethyl)pyridin-2-yl]amino}acetic acid
CAS No: 1016812-51-3 Catalog No: AG01F8NQ MDL No:
Product Description
Catalog Number:
AG01F8NQ
Chemical Name:
{[3-(Trifluoromethyl)pyridin-2-yl]amino}acetic acid
CAS Number:
1016812-51-3
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
IUPAC Name:
2-[[3-(trifluoromethyl)pyridin-2-yl]amino]acetic acid
InChI:
InChI=1S/C8H7F3N2O2/c9-8(10,11)5-2-1-3-12-7(5)13-4-6(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChI Key:
VBQXQSAXNHCGNG-UHFFFAOYSA-N
SMILES:
OC(=O)CNc1ncccc1C(F)(F)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.151g/mol
Monoisotopic Mass:
220.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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