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119138-73-7 | 2-Benzofurancarboxylic acid, 5-chloro-3-methyl-, ethyl ester
CAS No: 119138-73-7 Catalog No: AG000I8J MDL No:
Product Description
Catalog Number:
AG000I8J
Chemical Name:
2-Benzofurancarboxylic acid, 5-chloro-3-methyl-, ethyl ester
CAS Number:
119138-73-7
Molecular Formula:
C12H11ClO3
Molecular Weight:
238.6669
IUPAC Name:
ethyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C12H11ClO3/c1-3-15-12(14)11-7(2)9-6-8(13)4-5-10(9)16-11/h4-6H,3H2,1-2H3
InChI Key:
JFVQSPWXZJLDHT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2c(c1C)cc(cc2)Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.667g/mol
Monoisotopic Mass:
238.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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