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18780-68-2 | Carbonic acid, 4-(chlorocarbonyl)-2,6-dimethoxyphenyl ethyl ester
CAS No: 18780-68-2 Catalog No: AG002GIT MDL No:
Product Description
Catalog Number:
AG002GIT
Chemical Name:
Carbonic acid, 4-(chlorocarbonyl)-2,6-dimethoxyphenyl ethyl ester
CAS Number:
18780-68-2
Molecular Formula:
C12H13ClO6
Molecular Weight:
288.6810
IUPAC Name:
(4-carbonochloridoyl-2,6-dimethoxyphenyl) ethyl carbonate
InChI:
InChI=1S/C12H13ClO6/c1-4-18-12(15)19-10-8(16-2)5-7(11(13)14)6-9(10)17-3/h5-6H,4H2,1-3H3
InChI Key:
SUGYMTMPHHMOIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)Cl
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.68g/mol
Monoisotopic Mass:
288.04g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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