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Home > Fluorides > 1779132-96-5
1779132-96-5 | 2-(Trifluoromethoxy)nicotinic acid hydrochloride
CAS No: 1779132-96-5 Catalog No: AG01F9MD MDL No:
Product Description
Catalog Number:
AG01F9MD
Chemical Name:
2-(Trifluoromethoxy)nicotinic acid hydrochloride
CAS Number:
1779132-96-5
Molecular Formula:
C7H5ClF3NO3
Molecular Weight:
243.5677
IUPAC Name:
2-(trifluoromethoxy)pyridine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H4F3NO3.ClH/c8-7(9,10)14-5-4(6(12)13)2-1-3-11-5;/h1-3H,(H,12,13);1H
InChI Key:
ZXZOFARHOVRFPV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccnc1OC(F)(F)F.Cl
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.566g/mol
Monoisotopic Mass:
242.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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