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1227582-39-9 | Benzene, 2-(chloromethyl)-1-nitro-3-(trifluoromethyl)-
CAS No: 1227582-39-9 Catalog No: AG000JCS MDL No:MFCD16606364
Product Description
Catalog Number:
AG000JCS
Chemical Name:
Benzene, 2-(chloromethyl)-1-nitro-3-(trifluoromethyl)-
CAS Number:
1227582-39-9
Molecular Formula:
C8H5ClF3NO2
Molecular Weight:
239.5790
MDL Number:
MFCD16606364
IUPAC Name:
2-(chloromethyl)-1-nitro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5ClF3NO2/c9-4-5-6(8(10,11)12)2-1-3-7(5)13(14)15/h1-3H,4H2
InChI Key:
IZRCISTWYPUTCY-UHFFFAOYSA-N
SMILES:
ClCc1c(cccc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.578g/mol
Monoisotopic Mass:
238.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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