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1735-55-3 | Benzoyl chloride, 4-chloro-3-(trifluoromethyl)-
CAS No: 1735-55-3 Catalog No: AG001YYS MDL No:MFCD04115833
Product Description
Catalog Number:
AG001YYS
Chemical Name:
Benzoyl chloride, 4-chloro-3-(trifluoromethyl)-
CAS Number:
1735-55-3
Molecular Formula:
C8H3Cl2F3O
Molecular Weight:
243.0100
MDL Number:
MFCD04115833
IUPAC Name:
4-chloro-3-(trifluoromethyl)benzoyl chloride
InChI:
InChI=1S/C8H3Cl2F3O/c9-6-2-1-4(7(10)14)3-5(6)8(11,12)13/h1-3H
InChI Key:
ODPJRBXAGAUQAW-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.006g/mol
Monoisotopic Mass:
241.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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