Home Other Building Blocks 2,5-Bis(trifluoromethyl)terephthalic acid

2,5-Bis(trifluoromethyl)terephthalic acid

CAS No.:
366008-67-5
Catalog Number:
AG01EFM3
Molecular Formula:
C10H4F6O4
Molecular Weight:
302.1268
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Product Description
Catalog Number:
AG01EFM3
Chemical Name:
2,5-Bis(trifluoromethyl)terephthalic acid
CAS Number:
366008-67-5
Molecular Formula:
C10H4F6O4
Molecular Weight:
302.1268
IUPAC Name:
2,5-bis(trifluoromethyl)terephthalic acid
InChI:
InChI=1S/C10H4F6O4/c11-9(12,13)5-1-3(7(17)18)6(10(14,15)16)2-4(5)8(19)20/h1-2H,(H,17,18)(H,19,20)
InChI Key:
YIAGLTIEICXRQF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(cc1C(F)(F)F)C(=O)O)C(F)(F)F
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.001g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
302.128g/mol
Monoisotopic Mass:
302.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties