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852110-51-1 | (7-Bromo-2,3-dihydrobenzofuran-2-yl)methanol
CAS No: 852110-51-1 Catalog No: AG004QB6 MDL No:MFCD14705074
Product Description
Catalog Number:
AG004QB6
Chemical Name:
(7-Bromo-2,3-dihydrobenzofuran-2-yl)methanol
CAS Number:
852110-51-1
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD14705074
IUPAC Name:
(7-bromo-2,3-dihydro-1-benzofuran-2-yl)methanol
InChI:
InChI=1S/C9H9BrO2/c10-8-3-1-2-6-4-7(5-11)12-9(6)8/h1-3,7,11H,4-5H2
InChI Key:
KDCRSIHHGGSDPJ-UHFFFAOYSA-N
SMILES:
OCC1Cc2c(O1)c(Br)ccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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