Home Fluorides 101646-01-9
101646-01-9,MFCD00236668
Catalog No.:AA0004XQ
101646-01-9 | 3,4-Difluoro-5-nitrobenzotrifluoride
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1g
98%
in stock  
$215.00   $150.00
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5g
98%
in stock  
$715.00   $500.00
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10g
98%
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$1,191.00   $834.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0004XQ
Chemical Name:
3,4-Difluoro-5-nitrobenzotrifluoride
CAS Number:
101646-01-9
Molecular Formula:
C7H2F5NO2
Molecular Weight:
227.0883
MDL Number:
MFCD00236668
IUPAC Name:
1,2-difluoro-3-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H2F5NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H
InChI Key:
OADFVSQNTMBILE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1F)F)C(F)(F)F
Properties
Computed Properties
 
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.001g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.09g/mol
Monoisotopic Mass:
227.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
101646-01-9 
3,4-Difluoro-5-nitrobenzotrifluoride 
ZX-AP007534 
7402AC 
MFCD00236668 
SBB097090 
AKOS016846214 
AJ-40545 
CC-13128 
AX8004004 
TR-000415 
FT-0642457 
1,2-difluoro-3-nitro-5-(trifluoromethyl)benzene 
2,3-difluoro-1-nitro-5-trifluoromethylbenzene 
A19530 
C-6275 
2,3-difluoro-1-nitro-5-(trifluoromethyl)benzene 
1,2-difluoro-3-nitro-5-(trifluoromethyl)-benzene 
1-(Trifluoromethyl)-3-nitro-4,5-difluorobenzene 
C-12957 
1,2-Difluoro-3-nitro-5-(trifluoromethyl)benzene, AldrichCPR 
C7H2F5NO2 
ZINC02560317 
Benzene, 1,2-difluoro-3-nitro-5-(trifluoromethyl)- 
CID2737031 
Benzene,1,2-difluoro-3-nitro-5-(trifluoromethyl)- 
66088-52-6 
AC1MC6OJ 
SCHEMBL2654731 
DTXSID40371786 
PC2863E 
OADFVSQNTMBILE-UHFFFAOYSA-N 
ZINC2560317 
Literature
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