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113730-55-5 | 2-Benzofurancarboxylic acid, 7-chloro-2,3-dihydro-, ethyl ester
CAS No: 113730-55-5 Catalog No: AG0009H0 MDL No:
Product Description
Catalog Number:
AG0009H0
Chemical Name:
2-Benzofurancarboxylic acid, 7-chloro-2,3-dihydro-, ethyl ester
CAS Number:
113730-55-5
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
ethyl 7-chloro-2,3-dihydro-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C11H11ClO3/c1-2-14-11(13)9-6-7-4-3-5-8(12)10(7)15-9/h3-5,9H,2,6H2,1H3
InChI Key:
WXIWFFCWJBQQKX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1Cc2c(O1)c(Cl)ccc2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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