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145020-10-6 | Benzeneacetyl chloride, α-carbonyl-3-(trifluoromethyl)-
CAS No: 145020-10-6 Catalog No: AG001KHH MDL No:
Product Description
Catalog Number:
AG001KHH
Chemical Name:
Benzeneacetyl chloride, α-carbonyl-3-(trifluoromethyl)-
CAS Number:
145020-10-6
Molecular Formula:
C10H4ClF3O2
Molecular Weight:
248.5858
IUPAC Name:
3-oxo-2-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
InChI:
InChI=1S/C10H4ClF3O2/c11-9(16)8(5-15)6-2-1-3-7(4-6)10(12,13)14/h1-4H
InChI Key:
ATFFVMWUEXLNCG-UHFFFAOYSA-N
SMILES:
O=C=C(c1cccc(c1)C(F)(F)F)C(=O)Cl
Properties
Complexity:
331
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.585g/mol
Monoisotopic Mass:
247.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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