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101646-02-0 | Benzene, 1-chloro-2-fluoro-3-nitro-5-(trifluoromethyl)-
CAS No: 101646-02-0 Catalog No: AG00050H MDL No:MFCD00674108
Product Description
Catalog Number:
AG00050H
Chemical Name:
Benzene, 1-chloro-2-fluoro-3-nitro-5-(trifluoromethyl)-
CAS Number:
101646-02-0
Molecular Formula:
C7H2ClF4NO2
Molecular Weight:
243.5429
MDL Number:
MFCD00674108
IUPAC Name:
1-chloro-2-fluoro-3-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H2ClF4NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H
InChI Key:
JVOKKJHIEVEFEB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1F)Cl)C(F)(F)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.542g/mol
Monoisotopic Mass:
242.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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