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89091-70-3 | 2-Propenoyl chloride, 3-[3-methoxy-4-[(methylsulfonyl)oxy]phenyl]-
CAS No: 89091-70-3 Catalog No: AG003ZZ9 MDL No:
Product Description
Catalog Number:
AG003ZZ9
Chemical Name:
2-Propenoyl chloride, 3-[3-methoxy-4-[(methylsulfonyl)oxy]phenyl]-
CAS Number:
89091-70-3
Molecular Formula:
C11H11ClO5S
Molecular Weight:
290.7200
IUPAC Name:
[4-(3-chloro-3-oxoprop-1-enyl)-2-methoxyphenyl] methanesulfonate
InChI:
InChI=1S/C11H11ClO5S/c1-16-10-7-8(4-6-11(12)13)3-5-9(10)17-18(2,14)15/h3-7H,1-2H3
InChI Key:
MDVSLFAVKYJAFR-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)Cl)ccc1OS(=O)(=O)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.002g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.714g/mol
Monoisotopic Mass:
290.002g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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