Home Other Building Blocks 4-(difluoromethoxy)-3,5-dimethoxybenzoic acid

4-(difluoromethoxy)-3,5-dimethoxybenzoic acid

CAS No.:
192069-88-8
Catalog Number:
AG019SMT
Molecular Formula:
C10H10F2O5
Molecular Weight:
248.1802
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Product Description
Catalog Number:
AG019SMT
Chemical Name:
4-(difluoromethoxy)-3,5-dimethoxybenzoic acid
CAS Number:
192069-88-8
Molecular Formula:
C10H10F2O5
Molecular Weight:
248.1802
MDL Number:
MFCD07364070
IUPAC Name:
4-(difluoromethoxy)-3,5-dimethoxybenzoic acid
InChI:
InChI=1S/C10H10F2O5/c1-15-6-3-5(9(13)14)4-7(16-2)8(6)17-10(11)12/h3-4,10H,1-2H3,(H,13,14)
InChI Key:
KOBKEANPKHAIPC-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC(F)F)OC)C(=O)O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.05g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.182g/mol
Monoisotopic Mass:
248.05g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties