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392-95-0 | 2-Chloro-3,5-Dinitrobenzotrifluoride
CAS No: 392-95-0 Catalog No: AG003B6W MDL No:MFCD00007076
Product Description
Catalog Number:
AG003B6W
Chemical Name:
2-Chloro-3,5-Dinitrobenzotrifluoride
CAS Number:
392-95-0
Molecular Formula:
C7H2ClF3N2O4
Molecular Weight:
270.5500
MDL Number:
MFCD00007076
IUPAC Name:
2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H2ClF3N2O4/c8-6-4(7(9,10)11)1-3(12(14)15)2-5(6)13(16)17/h1-2H
InChI Key:
RLXKADBMLQPLDV-UHFFFAOYSA-N
SMILES:
O=N(=O)c1cc(N(=O)=O)c(c(c1)C(F)(F)F)Cl
EC Number:
206-883-0
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.966g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.548g/mol
Monoisotopic Mass:
269.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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