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117177-66-9 | Benzeneacetyl chloride, 4-methoxy-α-oxo-
CAS No: 117177-66-9 Catalog No: AG000DUK MDL No:
Product Description
Catalog Number:
AG000DUK
Chemical Name:
Benzeneacetyl chloride, 4-methoxy-α-oxo-
CAS Number:
117177-66-9
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
IUPAC Name:
2-(4-methoxyphenyl)-2-oxoacetyl chloride
InChI:
InChI=1S/C9H7ClO3/c1-13-7-4-2-6(3-5-7)8(11)9(10)12/h2-5H,1H3
InChI Key:
FYXNDWRLLHPICN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C(=O)Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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