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137372-07-7

137372-07-7 | Benzoic acid, 5-fluoro-2-(phosphonooxy)-

CAS No: 137372-07-7 Catalog No: AG00137P MDL No:

Product Description

Catalog Number:
AG00137P
Chemical Name:
Benzoic acid, 5-fluoro-2-(phosphonooxy)-
CAS Number:
137372-07-7
Molecular Formula:
C7H6FO6P
Molecular Weight:
236.0911
IUPAC Name:
5-fluoro-2-phosphonooxybenzoic acid
InChI:
InChI=1S/C7H6FO6P/c8-4-1-2-6(14-15(11,12)13)5(3-4)7(9)10/h1-3H,(H,9,10)(H2,11,12,13)
InChI Key:
LDEYSPZKADMPQU-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)OP(=O)(O)O

Properties

Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
236.091g/mol
Monoisotopic Mass:
235.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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