Home Halogens 3,4-Dichloro-5-Nitrobenzotrifluoride

3,4-Dichloro-5-Nitrobenzotrifluoride

CAS No.:
657-02-3
Catalog Number:
AG0033IB
Molecular Formula:
C7H2Cl2F3NO2
Molecular Weight:
259.9975
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Product Description
Catalog Number:
AG0033IB
Chemical Name:
3,4-Dichloro-5-Nitrobenzotrifluoride
CAS Number:
657-02-3
Molecular Formula:
C7H2Cl2F3NO2
Molecular Weight:
259.9975
MDL Number:
MFCD01862035
IUPAC Name:
1,2-dichloro-3-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H2Cl2F3NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H
InChI Key:
FZHCKUHPOZBPHB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Cl)Cl)C(F)(F)F
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:
3.3  
Properties