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Home > Fluorides > 823797-31-5
823797-31-5 | Benzoic acid, 4-fluoro-2,3-dihydroxy-, methyl ester
CAS No: 823797-31-5 Catalog No: AG005CXB MDL No:
Product Description
Catalog Number:
AG005CXB
Chemical Name:
Benzoic acid, 4-fluoro-2,3-dihydroxy-, methyl ester
CAS Number:
823797-31-5
Molecular Formula:
C8H7FO4
Molecular Weight:
186.1372
IUPAC Name:
methyl 4-fluoro-2,3-dihydroxybenzoate
InChI:
InChI=1S/C8H7FO4/c1-13-8(12)4-2-3-5(9)7(11)6(4)10/h2-3,10-11H,1H3
InChI Key:
MKJRJALSOXCYMX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1O)O)F
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.138g/mol
Monoisotopic Mass:
186.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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