Home Carboxes 1015433-96-1
1015433-96-1,MFCD11042825
Catalog No.:AA0004O1
1015433-96-1 | methyl 4,5-difluoro-2-nitrobenzoate
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10g
99.44%
in stock  
$146.00   $102.00
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25g
>97%
in stock  
$223.00   $156.00
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Technical Information
Catalog Number:
AA0004O1
Chemical Name:
methyl 4,5-difluoro-2-nitrobenzoate
CAS Number:
1015433-96-1
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
MDL Number:
MFCD11042825
IUPAC Name:
methyl 4,5-difluoro-2-nitrobenzoate
InChI:
InChI=1S/C8H5F2NO4/c1-15-8(12)4-2-5(9)6(10)3-7(4)11(13)14/h2-3H,1H3
InChI Key:
JHWZADUIXGMAKM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(cc1[N+](=O)[O-])F
Properties
Computed Properties
 
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.019g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.128g/mol
Monoisotopic Mass:
217.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
Methyl 4,5-difluoro-2-nitrobenzoate 
1015433-96-1 
JHWZADUIXGMAKM-UHFFFAOYSA-N 
WT077 
ACT09453 
Methyl4,5-Difluoro-2-nitrobenzoate 
ANW-44319 
CK1190 
methyl 3,4-difluoro-6-nitrobenzoate 
MFCD11042825 
ZINC21304781 
AKOS011265614 
4,5-Difluoro-2-nitrobenzoic acid methyl ester 
AS01248 
CM12686 
TRA0071763 
AC-28703 
AJ-78560 
AK-79144 
DA-16356 
DS-17619 
SY024507 
AB0031284 
Methyl-4,5-Difluoro-2-NitroBenzoate 
ST2407225 
TC-071265 
4CH-000822 
FT-0687118 
X4304 
TL800742110 
Q-9114 
MFCD11042825 (97+%) 
Benzoic acid, 4,5-difluoro-2-nitro-, methyl ester 
I01-8846 
methyl 3,4-difluoro-6-nitro benzoate 
1015433-96-1 4,5-difluoro-2-nitrobenzoic acid methyl ester 
C8H5F2NO4 
KSC914E0T 
SCHEMBL1640894 
CTK8B4209 
KS-00000BRJ 
DTXSID00620247 
Literature
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