Home Other Building Blocks 3,5-bis(difluoromethoxy)benzoic acid

3,5-bis(difluoromethoxy)benzoic acid

CAS No.:
1432678-93-7
Catalog Number:
AG01A45B
Molecular Formula:
C9H6F4O4
Molecular Weight:
254.1352
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Product Description
Catalog Number:
AG01A45B
Chemical Name:
3,5-bis(difluoromethoxy)benzoic acid
CAS Number:
1432678-93-7
Molecular Formula:
C9H6F4O4
Molecular Weight:
254.1352
MDL Number:
MFCD23701800
IUPAC Name:
3,5-bis(difluoromethoxy)benzoic acid
InChI:
InChI=1S/C9H6F4O4/c10-8(11)16-5-1-4(7(14)15)2-6(3-5)17-9(12)13/h1-3,8-9H,(H,14,15)
InChI Key:
JLSSNDJBOJLEOV-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(OC(F)F)cc(c1)C(=O)O)F
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.02g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.137g/mol
Monoisotopic Mass:
254.02g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties