Home Fluorides 1003709-80-5
1003709-80-5,MFCD09839225
Catalog No.:AA0001P3
1003709-80-5 | Benzoic acid, 2,4-difluoro-3,5-dimethoxy-
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100mg
95%
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250mg
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1g
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$99.00
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5g
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0001P3
Chemical Name:
Benzoic acid, 2,4-difluoro-3,5-dimethoxy-
CAS Number:
1003709-80-5
Molecular Formula:
C9H8F2O4
Molecular Weight:
218.1542
MDL Number:
MFCD09839225
IUPAC Name:
2,4-difluoro-3,5-dimethoxybenzoic acid
InChI:
InChI=1S/C9H8F2O4/c1-14-5-3-4(9(12)13)6(10)8(15-2)7(5)11/h3H,1-2H3,(H,12,13)
InChI Key:
LLRUPRYHYIFLJS-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(c(c1F)OC)F
Properties
Computed Properties
 
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.156g/mol
Monoisotopic Mass:
218.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
2,4-DIFLUORO-3,5-DIMETHOXYBENZOIC ACID 
1003709-80-5 
TD1002 
ZINC39953647 
AKOS015951064 
AS01845 
AS04425 
CD-1207 
CM12666 
LS10014 
XF10074 
2,4-Difluoro-3,5-Dimethoxy-BenzoicAcid 
2,4-difluoro-3,5-dimethoxy benzoic acid 
AC-28670 
AK-32624 
AS-54696 
BC639001 
PC408066 
SC-22010 
AB1007438 
AJ-101357 
AX8161247 
DB-058375 
2,4-Difluoro-3,5-dimethoxy-benzoic acid 
TC-158038 
4CH-021766 
Benzoic acid, 2,4-difluoro-3,5-dimethoxy- 
FT-0691423 
ST24038657 
X6001 
A19993 
null 
C9H8F2O4 
20776-61-8 
PubChem15064 
SCHEMBL19438657 
CTK3J8865 
DTXSID80662786 
ANW-69293 
MFCD09839225 
Literature
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