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84145-00-6 | [1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-hydroxy-, sodium salt (1:1)
CAS No: 84145-00-6 Catalog No: AG004ZIR MDL No:
Product Description
Catalog Number:
AG004ZIR
Chemical Name:
[1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-hydroxy-, sodium salt (1:1)
CAS Number:
84145-00-6
Molecular Formula:
C13H7F2NaO3
Molecular Weight:
272.1795
IUPAC Name:
sodium;5-(2,4-difluorophenyl)-2-hydroxybenzoate
InChI:
InChI=1S/C13H8F2O3.Na/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;/h1-6,16H,(H,17,18);/q;+1/p-1
InChI Key:
TWNIMRJXRIWUKA-UHFFFAOYSA-M
SMILES:
Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)[O-])O.[Na+]
EC Number:
282-223-5
UNII:
MJG4K58KPV
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.026g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.183g/mol
Monoisotopic Mass:
272.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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