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167678-46-8 | Benzoyl chloride, 3-(acetyloxy)-2-methyl-
CAS No: 167678-46-8 Catalog No: AG001XIS MDL No:MFCD02094037
Product Description
Catalog Number:
AG001XIS
Chemical Name:
Benzoyl chloride, 3-(acetyloxy)-2-methyl-
CAS Number:
167678-46-8
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
MDL Number:
MFCD02094037
IUPAC Name:
(3-carbonochloridoyl-2-methylphenyl) acetate
InChI:
InChI=1S/C10H9ClO3/c1-6-8(10(11)13)4-3-5-9(6)14-7(2)12/h3-5H,1-2H3
InChI Key:
COLDUSGLGQXXEJ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1C)C(=O)Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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