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20073-17-0 | Benzofuran, 5-bromo-6-methoxy-
CAS No: 20073-17-0 Catalog No: AG002CXM MDL No:
Product Description
Catalog Number:
AG002CXM
Chemical Name:
Benzofuran, 5-bromo-6-methoxy-
CAS Number:
20073-17-0
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
IUPAC Name:
5-bromo-6-methoxy-1-benzofuran
InChI:
InChI=1S/C9H7BrO2/c1-11-9-5-8-6(2-3-12-8)4-7(9)10/h2-5H,1H3
InChI Key:
NILNUVXOCDWGNU-UHFFFAOYSA-N
SMILES:
COc1cc2occc2cc1Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.057g/mol
Monoisotopic Mass:
225.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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