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1008773-96-3,MFCD14701514
Catalog No.:AA00030B
1008773-96-3 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-fluoro-2-methyl-
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1g
97%
in stock  
$134.00
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5g
97%
in stock  
$400.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00030B
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-fluoro-2-methyl-
CAS Number:
1008773-96-3
Molecular Formula:
C14H11FO2
Molecular Weight:
230.2343
MDL Number:
MFCD14701514
IUPAC Name:
4-(3-fluorophenyl)-3-methylbenzoic acid
InChI:
InChI=1S/C14H11FO2/c1-9-7-11(14(16)17)5-6-13(9)10-3-2-4-12(15)8-10/h2-8H,1H3,(H,16,17)
InChI Key:
IBGAPBDUMYRGEB-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1ccc(cc1C)C(=O)O
Properties
Computed Properties
 
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
1008773-96-3 
4-(3-FLUOROPHENYL)-3-METHYLBENZOIC ACID 
AKOS016001273 
AJ-110763 
AX8240364 
BC4716724 
TC-103130 
Z6323 
B-6236 
3'-Fluoro-2-methyl[1,1'-biphenyl]-4-carboxylic acid 
[1,1'-Biphenyl]-4-carboxylic acid, 3'-fluoro-2-methyl- 
C14H11FO2 
3'-Fluoro-2-methyl-[1,1'-biphenyl]-4-carboxylic acid 
3'-Fluoro-2-methyl-[1,1'-biphenyl]-4-carboxylicacid 
ACMC-2097sz 
SCHEMBL4539558 
CTK8A8987 
DTXSID20673477 
ANW-14385 
MFCD14701514 
ZINC47207117 
Literature
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