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188240-68-8 | 1-Isobenzofurancarboxylic acid, 3-bromo-4,5,6,7-tetrahydro-, ethyl ester
CAS No: 188240-68-8 Catalog No: AG002GS4 MDL No:
Product Description
Catalog Number:
AG002GS4
Chemical Name:
1-Isobenzofurancarboxylic acid, 3-bromo-4,5,6,7-tetrahydro-, ethyl ester
CAS Number:
188240-68-8
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
IUPAC Name:
ethyl 3-bromo-4,5,6,7-tetrahydro-2-benzofuran-1-carboxylate
InChI:
InChI=1S/C11H13BrO3/c1-2-14-11(13)9-7-5-3-4-6-8(7)10(12)15-9/h2-6H2,1H3
InChI Key:
XQXYGCKXMKFEPY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc(c2c1CCCC2)Br
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/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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