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200185-91-7

200185-91-7 | 2-Benzofurancarboxylic acid, 6-bromo-3-methyl-, ethyl ester

CAS No: 200185-91-7 Catalog No: AG002CL9 MDL No:

Product Description

Catalog Number:
AG002CL9
Chemical Name:
2-Benzofurancarboxylic acid, 6-bromo-3-methyl-, ethyl ester
CAS Number:
200185-91-7
Molecular Formula:
C12H11BrO3
Molecular Weight:
283.1179
IUPAC Name:
ethyl 6-bromo-3-methyl-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C12H11BrO3/c1-3-15-12(14)11-7(2)9-5-4-8(13)6-10(9)16-11/h4-6H,3H2,1-2H3
InChI Key:
WUXXJIYMXCUNTB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2c(c1C)ccc(c2)Br

Properties

Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.989g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.121g/mol
Monoisotopic Mass:
281.989g/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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