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1000516-17-5 | 3-Pyridineacetic acid, 5-(trifluoromethyl)-
CAS No: 1000516-17-5 Catalog No: AG0000P3 MDL No:MFCD09924978
Product Description
Catalog Number:
AG0000P3
Chemical Name:
3-Pyridineacetic acid, 5-(trifluoromethyl)-
CAS Number:
1000516-17-5
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD09924978
IUPAC Name:
2-[5-(trifluoromethyl)pyridin-3-yl]acetic acid
InChI:
InChI=1S/C8H6F3NO2/c9-8(10,11)6-1-5(2-7(13)14)3-12-4-6/h1,3-4H,2H2,(H,13,14)
InChI Key:
AFEMAIMWZJRTSS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cncc(c1)C(F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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