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26028-36-4 | 2-Benzofurancarboxylic acid, 5-bromo-, methyl ester
CAS No: 26028-36-4 Catalog No: AG002RFD MDL No:MFCD02625603
Product Description
Catalog Number:
AG002RFD
Chemical Name:
2-Benzofurancarboxylic acid, 5-bromo-, methyl ester
CAS Number:
26028-36-4
Molecular Formula:
C10H7BrO3
Molecular Weight:
255.0648
MDL Number:
MFCD02625603
IUPAC Name:
methyl 5-bromo-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C10H7BrO3/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3
InChI Key:
ZZDBMDNRQQDSKG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(o1)ccc(c2)Br
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.067g/mol
Monoisotopic Mass:
253.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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