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329-15-7 | 4-(Trifluoromethyl)Benzoyl Chloride
CAS No: 329-15-7 Catalog No: AG003KBQ MDL No:MFCD00000694
Product Description
Catalog Number:
AG003KBQ
Chemical Name:
4-(Trifluoromethyl)Benzoyl Chloride
CAS Number:
329-15-7
Molecular Formula:
C8H4ClF3O
Molecular Weight:
208.5650
MDL Number:
MFCD00000694
IUPAC Name:
4-(trifluoromethyl)benzoyl chloride
InChI:
InChI=1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
InChI Key:
OXZYBOLWRXENKT-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)C(F)(F)F
EC Number:
206-342-9
NSC Number:
88292
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.564g/mol
Monoisotopic Mass:
207.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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