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82510-98-3 | 4-(Dichloromethyl)benzotrifluoride
CAS No: 82510-98-3 Catalog No: AG004UIQ MDL No:
Product Description
Catalog Number:
AG004UIQ
Chemical Name:
4-(Dichloromethyl)benzotrifluoride
CAS Number:
82510-98-3
Molecular Formula:
C8H5Cl2F3
Molecular Weight:
229.0265
IUPAC Name:
1-(dichloromethyl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5Cl2F3/c9-7(10)5-1-3-6(4-2-5)8(11,12)13/h1-4,7H
InChI Key:
GDZMMXXMEMTSJY-UHFFFAOYSA-N
SMILES:
ClC(c1ccc(cc1)C(F)(F)F)Cl
Properties
Complexity:
159
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:
4.1
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