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1228898-68-7 | Benzene, 1-chloro-2-(chloromethyl)-3-(trifluoromethyl)-
CAS No: 1228898-68-7 Catalog No: AG000JOS MDL No:MFCD13194729
Product Description
Catalog Number:
AG000JOS
Chemical Name:
Benzene, 1-chloro-2-(chloromethyl)-3-(trifluoromethyl)-
CAS Number:
1228898-68-7
Molecular Formula:
C8H5Cl2F3
Molecular Weight:
229.0265
MDL Number:
MFCD13194729
IUPAC Name:
1-chloro-2-(chloromethyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5Cl2F3/c9-4-5-6(8(11,12)13)2-1-3-7(5)10/h1-3H,4H2
InChI Key:
ZSEUZHZUBXBFCC-UHFFFAOYSA-N
SMILES:
ClCc1c(Cl)cccc1C(F)(F)F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.023g/mol
Monoisotopic Mass:
227.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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