Home Fluorides 1003709-96-3
1003709-96-3,MFCD09835284
Catalog No.:AA0001P2
1003709-96-3 | 2,3-Difluoro-5-methylbenzoic acid
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100mg
95%
in stock  
$92.00   $65.00
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250mg
95%
in stock  
$177.00   $124.00
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1g
95%
in stock  
$353.00   $247.00
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Technical Information
Catalog Number:
AA0001P2
Chemical Name:
2,3-Difluoro-5-methylbenzoic acid
CAS Number:
1003709-96-3
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD09835284
IUPAC Name:
2,3-difluoro-5-methylbenzoic acid
InChI:
InChI=1S/C8H6F2O2/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,1H3,(H,11,12)
InChI Key:
PJDCKKOTZDVVOV-UHFFFAOYSA-N
SMILES:
Cc1cc(F)c(c(c1)C(=O)O)F
Properties
Computed Properties
 
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.131g/mol
Monoisotopic Mass:
172.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
2,3-Difluoro-5-methylbenzoic acid 
1003709-96-3 
ZINC35569520 
AKOS006328970 
AS05001 
CM12681 
LF10801 
Benzoic acid, 2,3-difluoro-5-methyl- 
AJ-91466 
DS-13243 
AX8160395 
DB-058377 
2,3-Difluoro-5-methylbenzoicacid 
TC-143598 
CS-0061218 
FT-0767459 
Z1807 
I01-6822 
C8H6F2O2 
A16187 
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE 
PubChem8224 
SCHEMBL16759605 
CTK8B6929 
DTXSID80661259 
ANW-54853 
FCH874208 
MFCD09835284 
Literature
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