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189035-22-1 | Benzofuran, 6-bromo-2,3-dihydro-
CAS No: 189035-22-1 Catalog No: AG002HR9 MDL No:MFCD08704305
Product Description
Catalog Number:
AG002HR9
Chemical Name:
Benzofuran, 6-bromo-2,3-dihydro-
CAS Number:
189035-22-1
Molecular Formula:
C8H7BrO
Molecular Weight:
199.0446
MDL Number:
MFCD08704305
IUPAC Name:
6-bromo-2,3-dihydro-1-benzofuran
InChI:
InChI=1S/C8H7BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4H2
InChI Key:
BQWBDYZMUCSEHK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)OCC2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.047g/mol
Monoisotopic Mass:
197.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Practical asymmetric synthesis of a selective endothelin A receptor (ETA) antagonist. | Organic letters 20011018 |
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