Home Other Building Blocks SODIUM 2,4,5-TRIFLUOROBENZOATE

SODIUM 2,4,5-TRIFLUOROBENZOATE

CAS No.:
522651-48-5
Catalog Number:
AG00DAGH
Molecular Formula:
C7H2F3NaO2
Molecular Weight:
198.0746
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Product Description
Catalog Number:
AG00DAGH
Chemical Name:
SODIUM 2,4,5-TRIFLUOROBENZOATE
CAS Number:
522651-48-5
Molecular Formula:
C7H2F3NaO2
Molecular Weight:
198.0746
MDL Number:
MFCD03094399
IUPAC Name:
sodium;2,4,5-trifluorobenzoate
InChI:
InChI=1S/C7H3F3O2.Na/c8-4-2-6(10)5(9)1-3(4)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1
InChI Key:
DFNAYAZQVIYLKO-UHFFFAOYSA-M
SMILES:
Fc1cc(C(=O)[O-])c(cc1F)F.[Na+]
EC Number:
928-174-1
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.076g/mol
Monoisotopic Mass:
197.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties