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1261591-90-5

1261591-90-5 | [1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-2'-(trifluoromethoxy)-

CAS No: 1261591-90-5 Catalog No: AG000RVO MDL No:MFCD18405943

Product Description

Catalog Number:
AG000RVO
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-fluoro-2'-(trifluoromethoxy)-
CAS Number:
1261591-90-5
Molecular Formula:
C14H8F4O3
Molecular Weight:
300.2051
MDL Number:
MFCD18405943
IUPAC Name:
3-fluoro-4-[2-(trifluoromethoxy)phenyl]benzoic acid
InChI:
InChI=1S/C14H8F4O3/c15-11-7-8(13(19)20)5-6-9(11)10-3-1-2-4-12(10)21-14(16,17)18/h1-7H,(H,19,20)
InChI Key:
PFHLHRKORORKAB-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1c1ccccc1OC(F)(F)F)C(=O)O

Properties

Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.041g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.209g/mol
Monoisotopic Mass:
300.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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