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195136-46-0 | 1-(Chloromethyl)-2,4-bis(trifluoromethyl)benzene
CAS No: 195136-46-0 Catalog No: AG003FOY MDL No:MFCD00083537
Product Description
Catalog Number:
AG003FOY
Chemical Name:
1-(Chloromethyl)-2,4-bis(trifluoromethyl)benzene
CAS Number:
195136-46-0
Molecular Formula:
C9H5ClF6
Molecular Weight:
262.5794
MDL Number:
MFCD00083537
IUPAC Name:
1-(chloromethyl)-2,4-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H5ClF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
InChI Key:
DPKQSESRNWBUFZ-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.579g/mol
Monoisotopic Mass:
261.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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