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116217-57-3 | Benzoyl chloride, 3,5-dichloro-2-methoxy-6-methyl-4-(phenylmethoxy)-
CAS No: 116217-57-3 Catalog No: AG000BYR MDL No:
Product Description
Catalog Number:
AG000BYR
Chemical Name:
Benzoyl chloride, 3,5-dichloro-2-methoxy-6-methyl-4-(phenylmethoxy)-
CAS Number:
116217-57-3
Molecular Formula:
C16H13Cl3O3
Molecular Weight:
359.6316
IUPAC Name:
3,5-dichloro-2-methoxy-6-methyl-4-phenylmethoxybenzoyl chloride
InChI:
InChI=1S/C16H13Cl3O3/c1-9-11(16(19)20)14(21-2)13(18)15(12(9)17)22-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChI Key:
MCLKHMIKUBJGNR-UHFFFAOYSA-N
SMILES:
COc1c(Cl)c(OCc2ccccc2)c(c(c1C(=O)Cl)C)Cl
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.993g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.627g/mol
Monoisotopic Mass:
357.993g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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