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Home > Fluorides > 1159429-52-3
1159429-52-3 | Benzoic acid, 4-(difluoromethoxy)-3-hydroxy-, methyl ester
CAS No: 1159429-52-3 Catalog No: AG000H4O MDL No:
Product Description
Catalog Number:
AG000H4O
Chemical Name:
Benzoic acid, 4-(difluoromethoxy)-3-hydroxy-, methyl ester
CAS Number:
1159429-52-3
Molecular Formula:
C9H8F2O4
Molecular Weight:
218.1542
IUPAC Name:
methyl 4-(difluoromethoxy)-3-hydroxybenzoate
InChI:
InChI=1S/C9H8F2O4/c1-14-8(13)5-2-3-7(6(12)4-5)15-9(10)11/h2-4,9,12H,1H3
InChI Key:
SJYHAEKKPKGTPG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)O)OC(F)F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.156g/mol
Monoisotopic Mass:
218.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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