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146516-74-7 | 1(3H)-Isobenzofuranone, 7-chloro-3-(2-methoxyphenyl)-
CAS No: 146516-74-7 Catalog No: AG001E3J MDL No:
Product Description
Catalog Number:
AG001E3J
Chemical Name:
1(3H)-Isobenzofuranone, 7-chloro-3-(2-methoxyphenyl)-
CAS Number:
146516-74-7
Molecular Formula:
C15H11ClO3
Molecular Weight:
274.6990
IUPAC Name:
7-chloro-3-(2-methoxyphenyl)-3H-2-benzofuran-1-one
InChI:
InChI=1S/C15H11ClO3/c1-18-12-8-3-2-5-9(12)14-10-6-4-7-11(16)13(10)15(17)19-14/h2-8,14H,1H3
InChI Key:
MZNBSYKMMDDXCR-UHFFFAOYSA-N
SMILES:
COc1ccccc1C1OC(=O)c2c1cccc2Cl
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.7g/mol
Monoisotopic Mass:
274.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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