Home Fluorides 1003710-01-7
1003710-01-7,MFCD09835286
Catalog No.:AA0001P1
1003710-01-7 | Benzoic acid, 2,5-difluoro-3-methyl-
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250mg
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1g
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Technical Information
Catalog Number:
AA0001P1
Chemical Name:
Benzoic acid, 2,5-difluoro-3-methyl-
CAS Number:
1003710-01-7
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD09835286
IUPAC Name:
2,5-difluoro-3-methylbenzoic acid
InChI:
InChI=1S/C8H6F2O2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
PATNBLNHYHHRQH-UHFFFAOYSA-N
SMILES:
Fc1cc(C)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
 
2,5-Difluoro-3-methylbenzoic acid 
1003710-01-7 
ZINC19616040 
AKOS006329184 
Benzoicacid, 2,5-difluoro-3-methyl- 
AM62249 
AS05004 
CD-1575 
FS-6464 
LF10812 
QC-7446 
RP23426 
2,5-Difluoro-3-methylbenzoicacid 
AJ-74033 
AB0070667 
AX8160403 
I01-6823 
J-507328 
C8H6F2O2 
A16188 
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE 
benzoic acid, 2,5-difluoro-3-methyl- 
PubChem8237 
CTK0G9194 
DTXSID20661258 
0177AA 
FCH874210 
MFCD09835286 
Literature
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