Home Other Building Blocks 3,5-difluoro-4-phenoxybenzoic acid

3,5-difluoro-4-phenoxybenzoic acid

CAS No.:
1487010-50-3
Catalog Number:
AG01BJ0M
Molecular Formula:
C13H8F2O3
Molecular Weight:
250.1976
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Product Description
Catalog Number:
AG01BJ0M
Chemical Name:
3,5-difluoro-4-phenoxybenzoic acid
CAS Number:
1487010-50-3
Molecular Formula:
C13H8F2O3
Molecular Weight:
250.1976
MDL Number:
MFCD17620523
IUPAC Name:
3,5-difluoro-4-phenoxybenzoic acid
InChI:
InChI=1S/C13H8F2O3/c14-10-6-8(13(16)17)7-11(15)12(10)18-9-4-2-1-3-5-9/h1-7H,(H,16,17)
InChI Key:
DXQKOWGPDCDFNL-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)F)Oc1ccccc1
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.044g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.201g/mol
Monoisotopic Mass:
250.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties