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1421761-18-3 | Benzoic acid, 3-chloro-4-fluoro-, sodium salt (1:1)
CAS No: 1421761-18-3 Catalog No: AG001HVU MDL No:
Product Description
Catalog Number:
AG001HVU
Chemical Name:
Benzoic acid, 3-chloro-4-fluoro-, sodium salt (1:1)
CAS Number:
1421761-18-3
Molecular Formula:
C7H3ClFNaO2
Molecular Weight:
196.5387
IUPAC Name:
sodium;3-chloro-4-fluorobenzoate
InChI:
InChI=1S/C7H4ClFO2.Na/c8-5-3-4(7(10)11)1-2-6(5)9;/h1-3H,(H,10,11);/q;+1/p-1
InChI Key:
YKLJXXDVYTYGJE-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1ccc(c(c1)Cl)F.[Na+]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.537g/mol
Monoisotopic Mass:
195.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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