Home Carboxys 3-(difluoromethoxy)naphthalene-2-carboxylic acid

3-(difluoromethoxy)naphthalene-2-carboxylic acid

CAS No.:
929341-31-1
Catalog Number:
AG01A393
Molecular Formula:
C12H8F2O3
Molecular Weight:
238.1869
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Product Description
Catalog Number:
AG01A393
Chemical Name:
3-(difluoromethoxy)naphthalene-2-carboxylic acid
CAS Number:
929341-31-1
Molecular Formula:
C12H8F2O3
Molecular Weight:
238.1869
MDL Number:
MFCD09259619
IUPAC Name:
3-(difluoromethoxy)naphthalene-2-carboxylic acid
InChI:
InChI=1S/C12H8F2O3/c13-12(14)17-10-6-8-4-2-1-3-7(8)5-9(10)11(15)16/h1-6,12H,(H,15,16)
InChI Key:
GZOINMMLARRYIO-UHFFFAOYSA-N
SMILES:
FC(Oc1cc2ccccc2cc1C(=O)O)F
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.044g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.19g/mol
Monoisotopic Mass:
238.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties