Home Other Building Blocks Benzoyl chloride, 2-methyl-5-(trifluoromethyl)-

Benzoyl chloride, 2-methyl-5-(trifluoromethyl)-

CAS No.:
261952-08-3
Catalog Number:
AG002S79
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
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Product Description
Catalog Number:
AG002S79
Chemical Name:
Benzoyl chloride, 2-methyl-5-(trifluoromethyl)-
CAS Number:
261952-08-3
Molecular Formula:
C9H6ClF3O
Molecular Weight:
222.5915
MDL Number:
MFCD01631599
IUPAC Name:
2-methyl-5-(trifluoromethyl)benzoyl chloride
InChI:
InChI=1S/C9H6ClF3O/c1-5-2-3-6(9(11,12)13)4-7(5)8(10)14/h2-4H,1H3
InChI Key:
MXPJWWPYMSWHBS-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(ccc1C)C(F)(F)F
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.591g/mol
Monoisotopic Mass:
222.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties