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1040681-74-0 | 2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
CAS No: 1040681-74-0 Catalog No: AG003H9A MDL No:MFCD10687403
Product Description
Catalog Number:
AG003H9A
Chemical Name:
2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
CAS Number:
1040681-74-0
Molecular Formula:
C7H3F4NO2
Molecular Weight:
209.0978
MDL Number:
MFCD10687403
IUPAC Name:
2-fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H3F4NO2/c8-5-4(6(13)14)3(1-2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChI Key:
ABXMDMDQUVWALB-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)nccc1C(F)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.1g/mol
Monoisotopic Mass:
209.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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