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13947-96-1 | Benzene, 1-(trichloromethyl)-4-(trifluoromethyl)-
CAS No: 13947-96-1 Catalog No: AG001B2S MDL No:MFCD23701757
Product Description
Catalog Number:
AG001B2S
Chemical Name:
Benzene, 1-(trichloromethyl)-4-(trifluoromethyl)-
CAS Number:
13947-96-1
Molecular Formula:
C8H4Cl3F3
Molecular Weight:
263.4716
MDL Number:
MFCD23701757
IUPAC Name:
1-(trichloromethyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H4Cl3F3/c9-7(10,11)5-1-3-6(4-2-5)8(12,13)14/h1-4H
InChI Key:
NTFZDVDWIVFEEI-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C(Cl)(Cl)Cl)(F)F
EC Number:
237-729-0
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.933g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.465g/mol
Monoisotopic Mass:
261.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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