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50594-31-5,MFCD00236666
Catalog No.:AA003ID7
50594-31-5 | 4,5-Dichloro-2-nitrobenzotrifluoride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$15.00   $10.00
- +
5g
98%
in stock  
$22.00   $15.00
- +
25g
98%
in stock  
$58.00   $40.00
- +
100g
98%
in stock  
$172.00   $120.00
  • Technical Information
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Technical Information
Catalog Number:
AA003ID7
Chemical Name:
4,5-Dichloro-2-nitrobenzotrifluoride
CAS Number:
50594-31-5
Molecular Formula:
C7H2Cl2F3NO2
Molecular Weight:
259.9975
MDL Number:
MFCD00236666
IUPAC Name:
1,2-dichloro-4-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H2Cl2F3NO2/c8-4-1-3(7(10,11)12)6(13(14)15)2-5(4)9/h1-2H
InChI Key:
MMUARSWOJRDXBV-UHFFFAOYSA-N
SMILES:
Clc1cc([N+](=O)[O-])c(cc1Cl)C(F)(F)F
Properties
Computed Properties
 
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.941g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.993g/mol
Monoisotopic Mass:
258.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
50594-31-5 
4,5-Dichloro-2-nitrobenzotrifluoride 
SCHEMBL9765088 
CTK8B5083 
DTXSID00371646 
ACT00946 
EBD32980 
KS-00000D6W 
ZINC2560316 
ZX-AP001609 
ANW-47444 
PC2489 
1,2-dichloro-4-nitro-5-(trifluoromethyl)benzene 
SBB064446 
AKOS015890072 
4,5-Dichloro-2-nitrobenzenetrifluoride 
AC-4133 
AM62015 
AS01086 
CM13241 
RTR-018070 
VZ27558 
AJ-40544 
3,4-Dichloro-6-nitrobenzotrifluoride 
AK-35366 
AN-12256 
BR-35366 
PS-10479 
SY020740 
AB0034202 
AX8081729 
ST2402962 
2-NITRO-4,5-DICHLOROBENZOTRIFLUORIDE 
FT-0081698 
Benzene, 1,2-dichloro-4-nitro-5-(trifluoromethyl)- 
FT-0651207 
X8316 
MFCD00236666 (98%) 
TL800742055 
S-2715 
4,5-dichloro-1-nitro-2-(trifluoromethyl)benzene 
I01-4873 
I01-7760 
C7H2Cl2F3NO2 
ZINC02560316 
MFCD00236666 
CID2736844 
A7501 
3,4-Dichloro-6-nitrobenzotrifluoride - 5G 5g 
4,5-Dichloro-2-(trifluoromethyl)nitrobenzene 
PubChem4863 
AC1MC6EB 
KSC915A8H 
Literature
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