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570408-49-0 | 3,5-Difluoro-4-(2-methoxyethoxy)benzoic acid
CAS No: 570408-49-0 Catalog No: AG01EWHP MDL No:
Product Description
Catalog Number:
AG01EWHP
Chemical Name:
3,5-Difluoro-4-(2-methoxyethoxy)benzoic acid
CAS Number:
570408-49-0
Molecular Formula:
C10H10F2O4
Molecular Weight:
232.1808
IUPAC Name:
3,5-difluoro-4-(2-methoxyethoxy)benzoic acid
InChI:
InChI=1S/C10H10F2O4/c1-15-2-3-16-9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,2-3H2,1H3,(H,13,14)
InChI Key:
CNJARJYMXLGARN-UHFFFAOYSA-N
SMILES:
COCCOc1c(F)cc(cc1F)C(=O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.183g/mol
Monoisotopic Mass:
232.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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