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Home > Bromides > 1142953-55-6
1142953-55-6 | 1,4-Benzodioxin, 2-(bromomethyl)-2,3-dihydro-, (2R)-
CAS No: 1142953-55-6 Catalog No: AG000B0H MDL No:MFCD12756174
Product Description
Catalog Number:
AG000B0H
Chemical Name:
1,4-Benzodioxin, 2-(bromomethyl)-2,3-dihydro-, (2R)-
CAS Number:
1142953-55-6
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD12756174
IUPAC Name:
(3R)-3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
InChI:
InChI=1S/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2/t7-/m0/s1
InChI Key:
QYLFKNVZIFTCIY-ZETCQYMHSA-N
SMILES:
BrC[C@H]1COc2c(O1)cccc2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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