Home Fluorides 1008773-97-4
1008773-97-4,MFCD18321753
Catalog No.:AA00030A
1008773-97-4 | 3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$172.00   $120.00
- +
5g
98%
in stock  
$572.00   $400.00
- +
10g
98%
in stock  
$953.00   $667.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00030A
Chemical Name:
3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid
CAS Number:
1008773-97-4
Molecular Formula:
C15H11F3O2
Molecular Weight:
280.2418
MDL Number:
MFCD18321753
IUPAC Name:
3-methyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
InChI:
InChI=1S/C15H11F3O2/c1-9-7-11(14(19)20)5-6-13(9)10-3-2-4-12(8-10)15(16,17)18/h2-8H,1H3,(H,19,20)
InChI Key:
LCVZKPOQZIJLSS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.071g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.246g/mol
Monoisotopic Mass:
280.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Synonyms
 
1008773-97-4 
3-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)BENZOIC ACID 
AJ-115511 
TC-103131 
Z6324 
B-6237 
2-Methyl-3'-(trifluoromethyl)biphenyl-4-carboxylic acid 
2-Methyl-3'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid 
C15H11F3O2 
2-Methyl-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid 
SCHEMBL179120 
ACMC-2097t0 
CTK8A8988 
DTXSID40691138 
ANW-14386 
MFCD18321753 
ZINC65354215 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A