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100656-03-9 | Isobenzofuran, 6-bromo-1,3-dihydro-1-methoxy-
CAS No: 100656-03-9 Catalog No: AG0002KL MDL No:
Product Description
Catalog Number:
AG0002KL
Chemical Name:
Isobenzofuran, 6-bromo-1,3-dihydro-1-methoxy-
CAS Number:
100656-03-9
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
IUPAC Name:
6-bromo-1-methoxy-1,3-dihydro-2-benzofuran
InChI:
InChI=1S/C9H9BrO2/c1-11-9-8-4-7(10)3-2-6(8)5-12-9/h2-4,9H,5H2,1H3
InChI Key:
DPCBHHGEVFYHBI-UHFFFAOYSA-N
SMILES:
COC1OCc2c1cc(Br)cc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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