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1228898-66-5 | 3-Chloro-2-trifluoromethylbenzoyl chloride
CAS No: 1228898-66-5 Catalog No: AG01FB6S MDL No:MFCD14155636
Product Description
Catalog Number:
AG01FB6S
Chemical Name:
3-Chloro-2-trifluoromethylbenzoyl chloride
CAS Number:
1228898-66-5
Molecular Formula:
C8H3Cl2F3O
Molecular Weight:
243.0100
MDL Number:
MFCD14155636
IUPAC Name:
3-chloro-2-(trifluoromethyl)benzoyl chloride
InChI:
InChI=1S/C8H3Cl2F3O/c9-5-3-1-2-4(7(10)14)6(5)8(11,12)13/h1-3H
InChI Key:
SFYQTXFSGQMRSM-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cccc(c1C(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:
3.9
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