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1421029-91-5 | Benzoic acid, 4-chloro-2,5-difluoro-, sodium salt (1:1)
CAS No: 1421029-91-5 Catalog No: AG001HSG MDL No:MFCD27922140
Product Description
Catalog Number:
AG001HSG
Chemical Name:
Benzoic acid, 4-chloro-2,5-difluoro-, sodium salt (1:1)
CAS Number:
1421029-91-5
Molecular Formula:
C7H2ClF2NaO2
Molecular Weight:
214.5292
MDL Number:
MFCD27922140
IUPAC Name:
sodium;4-chloro-2,5-difluorobenzoate
InChI:
InChI=1S/C7H3ClF2O2.Na/c8-4-2-5(9)3(7(11)12)1-6(4)10;/h1-2H,(H,11,12);/q;+1/p-1
InChI Key:
NAJZTZFROUOWOZ-UHFFFAOYSA-M
SMILES:
Fc1cc(C(=O)[O-])c(cc1Cl)F.[Na+]
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.961g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.528g/mol
Monoisotopic Mass:
213.961g/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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