Home Other Building Blocks 2-(difluoromethoxy)-3-methoxybenzoic acid

2-(difluoromethoxy)-3-methoxybenzoic acid

CAS No.:
730951-44-7
Catalog Number:
AG019IEN
Molecular Formula:
C9H8F2O4
Molecular Weight:
218.1542
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Product Description
Catalog Number:
AG019IEN
Chemical Name:
2-(difluoromethoxy)-3-methoxybenzoic acid
CAS Number:
730951-44-7
Molecular Formula:
C9H8F2O4
Molecular Weight:
218.1542
MDL Number:
MFCD04621703
IUPAC Name:
2-(difluoromethoxy)-3-methoxybenzoic acid
InChI:
InChI=1S/C9H8F2O4/c1-14-6-4-2-3-5(8(12)13)7(6)15-9(10)11/h2-4,9H,1H3,(H,12,13)
InChI Key:
FDSBERKHOFDDQL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OC(F)F)C(=O)O
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:
2.7  
Properties