Home Other Building Blocks SODIUM 2,5-DIFLUOROBENZOATE

SODIUM 2,5-DIFLUOROBENZOATE

CAS No.:
522651-42-9
Catalog Number:
AG00DAGI
Molecular Formula:
C7H3F2NaO2
Molecular Weight:
180.0841
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Product Description
Catalog Number:
AG00DAGI
Chemical Name:
SODIUM 2,5-DIFLUOROBENZOATE
CAS Number:
522651-42-9
Molecular Formula:
C7H3F2NaO2
Molecular Weight:
180.0841
MDL Number:
MFCD03094396
IUPAC Name:
sodium;2,5-difluorobenzoate
InChI:
InChI=1S/C7H4F2O2.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChI Key:
YABTWKXFBHYZNH-UHFFFAOYSA-M
SMILES:
Fc1ccc(c(c1)C(=O)[O-])F.[Na+]
EC Number:
610-815-9
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.086g/mol
Monoisotopic Mass:
180g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties