Home Other Building Blocks 2,6-difluoro-4-(trifluoromethyl)benzoic acid

2,6-difluoro-4-(trifluoromethyl)benzoic acid

CAS No.:
1309597-24-7
Catalog Number:
AG01B1GD
Molecular Formula:
C8H3F5O2
Molecular Weight:
226.1002
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Product Description
Catalog Number:
AG01B1GD
Chemical Name:
2,6-difluoro-4-(trifluoromethyl)benzoic acid
CAS Number:
1309597-24-7
Molecular Formula:
C8H3F5O2
Molecular Weight:
226.1002
MDL Number:
MFCD27975469
IUPAC Name:
2,6-difluoro-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3F5O2/c9-4-1-3(8(11,12)13)2-5(10)6(4)7(14)15/h1-2H,(H,14,15)
InChI Key:
RYWDDEGVJSAZLQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cc(cc1F)C(F)(F)F
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.102g/mol
Monoisotopic Mass:
226.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties