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1008737-00-5 | 4-Pyridineacetic acid, 2-(trifluoromethyl)-
CAS No: 1008737-00-5 Catalog No: AG00032A MDL No:
Product Description
Catalog Number:
AG00032A
Chemical Name:
4-Pyridineacetic acid, 2-(trifluoromethyl)-
CAS Number:
1008737-00-5
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
IUPAC Name:
2-[2-(trifluoromethyl)pyridin-4-yl]acetic acid
InChI:
InChI=1S/C8H6F3NO2/c9-8(10,11)6-3-5(1-2-12-6)4-7(13)14/h1-3H,4H2,(H,13,14)
InChI Key:
RLWKWLRQVHPBDQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccnc(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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