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1214324-50-1 | Benzoic acid, 3,6-difluoro-2-hydroxy-, methyl ester
CAS No: 1214324-50-1 Catalog No: AG0014S2 MDL No:MFCD10567189
Product Description
Catalog Number:
AG0014S2
Chemical Name:
Benzoic acid, 3,6-difluoro-2-hydroxy-, methyl ester
CAS Number:
1214324-50-1
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
MDL Number:
MFCD10567189
IUPAC Name:
methyl 3,6-difluoro-2-hydroxybenzoate
InChI:
InChI=1S/C8H6F2O3/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3,11H,1H3
InChI Key:
ZQDXNCXFLSCPED-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)ccc(c1O)F
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.13g/mol
Monoisotopic Mass:
188.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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