Home Fluorides 455-86-7
455-86-7,MFCD00011672
Catalog No.:AA003IE6
455-86-7 | 3,4-Difluorobenzoic acid
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10g
97%
in stock  
$8.00   $5.00
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100g
97%
in stock  
$53.00   $37.00
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500g
97%
in stock  
$173.00   $121.00
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  • Technical Information
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  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IE6
Chemical Name:
3,4-Difluorobenzoic acid
CAS Number:
455-86-7
Molecular Formula:
C7H4F2O2
Molecular Weight:
158.1023
MDL Number:
MFCD00011672
IUPAC Name:
3,4-difluorobenzoic acid
InChI:
InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChI Key:
FPENCTDAQQQKNY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)F)F
EC Number:
207-249-6
NSC Number:
190686
Properties
Computed Properties
 
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.018g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.104g/mol
Monoisotopic Mass:
158.018g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3,4-Difluorobenzoic acid 
455-86-7 
ACMC-209k3h 
3,4-difluoro-benzoic acid 
AC1L40PD 
AC1Q73BG 
SCHEMBL27151 
KSC237G8T 
AC1Q730Y 
RARECHEM AL BO 0269 
CTK1D7389 
KS-00000CGX 
Benzoic acid, 3,4-difluoro- 
TIMTEC-BB SBB006721 
DTXSID60196539 
3,4-Difluorobenzoic acid, 98% 
JRD-0041 
ZINC2243279 
ANW-30315 
BBL011833 
SBB006721 
STK802568 
AKOS000121204 
MFCD00011672 
AC-6252 
AN-1830 
AS00851 
BS-3870 
CM12108 
CS-W009127 
LS11167 
MCULE-3928548738 
NSC 190686 
NSC-190686 
FPENCTDAQQQKNY-UHFFFAOYSA-N 
RP22162 
RTC-062259 
TRA0047210 
AJ-34270 
AK-47373 
BR-47373 
SC-04667 
SY005367 
AB0011829 
AB1005538 
EINECS 207-249-6 
DB-021885 
ST2417240 
TC-062259 
TL8003167 
AM20040508 
D1908 
FT-0614279 
ST50824666 
EN300-18968 
Q-8885 
3,4-Dichloropnenol 
MFCD00011672 (97+%) 
3,4-Difluorobenzoic acid, purum, >=98.0% (T) 
455D867 
AN-652/40227387 
I01-0015 
Q-200340 
F0001-1233 
InChI=1/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11 
null 
qvr cf df 
NSC190686 
3,4-Difluorobenzoicacid 
C7H4F2O2 
C7-H4-F2-O2 
CID99166 
AR-1L3012 
ACN-056542 
3,4-Difluorobenzoic acid, 98% - 100G 100g 
455-40-3 
489-56-5 
PubChem1337 
3,4-fifluorobenzoic acid 
Literature

Title: Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.

Journal: Dalton transactions (Cambridge, England : 2003) 20110121

Title: Prodrugs of fluoro-substituted benzoates of EGC as tumor cellular proteasome inhibitors and apoptosis inducers.

Journal: International journal of molecular sciences 20080601

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