Home Fluorides 2713-33-9
2713-33-9,MFCD00010315
Catalog No.:AA003IED
2713-33-9 | 3,4-Difluorophenol
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1g
98%(GCHPLC)
in stock  
$33.00   $23.00
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5g
98%(GCHPLC)
in stock  
$50.00   $35.00
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25g
95%
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$68.00   $48.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IED
Chemical Name:
3,4-Difluorophenol
CAS Number:
2713-33-9
Molecular Formula:
C6H4F2O
Molecular Weight:
130.0922
MDL Number:
MFCD00010315
IUPAC Name:
3,4-difluorophenol
InChI:
InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChI Key:
BNPWVUJOPCGHIK-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)F)F
Properties
Computed Properties
 
Complexity:
97.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.023g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.094g/mol
Monoisotopic Mass:
130.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
3,4-Difluorophenol 
2713-33-9 
AC1L2PTG 
AC1Q4NWS 
SCHEMBL15677 
3,4-Difluorophenol, 99% 
KSC202Q5J 
AC1Q78L5 
BNPWVUJOPCGHIK-UHFFFAOYSA- 
CTK1A2854 
DTXSID50181595 
HMS1719N03 
Phenol, 3,4-difluoro- 
ZINC164811 
ACN-S003530 
ACT11783 
KS-000009AS 
ANW-26133 
SBB085753 
AKOS000121594 
AS00210 
CM11728 
CS-W020114 
3,4-difluoro phenol 
PS-9149 
RP19893 
RTC-030244 
TF10046 
TRA0083184 
AC-23579 
AJ-16293 
BR-48088 
CJ-02228 
SC-03039 
MFCD00010315 
TL806318 
ZB008313 
AB0011563 
DB-023863 
ST2417243 
TC-030244 
AM20040067 
D2476 
FT-0085010 
FT-0614297 
BNPWVUJOPCGHIK-UHFFFAOYSA-N 
C-4607 
713D339 
I01-2380 
J-511155 
Z56347116 
InChI=1/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H 
C6H4F2O 
3,4,5-Tris(Fluoranyl)phenol 
C6-H4-F2-O 
CID75927 
3 4-difluorophenol 
AR-1E9150 
ZINC00164811 
A1618 
3,4-Difluorophenol, 98.5% - 100G 100g 
10578-79-7 
2799-92-0 
JIF 
3,4-difluoro-phenol 
PubChem2315 
ACMC-1CMAJ 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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