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Home > Boronic Acids > 1437051-56-3
1437051-56-3 | 2,1-Benzoxaborole, 5-(bromomethyl)-1,3-dihydro-1-hydroxy-3,3-dimethyl-
CAS No: 1437051-56-3 Catalog No: AG001I8B MDL No:
Product Description
Catalog Number:
AG001I8B
Chemical Name:
2,1-Benzoxaborole, 5-(bromomethyl)-1,3-dihydro-1-hydroxy-3,3-dimethyl-
CAS Number:
1437051-56-3
Molecular Formula:
C10H12BBrO2
Molecular Weight:
254.9161
IUPAC Name:
5-(bromomethyl)-1-hydroxy-3,3-dimethyl-2,1-benzoxaborole
InChI:
InChI=1S/C10H12BBrO2/c1-10(2)8-5-7(6-12)3-4-9(8)11(13)14-10/h3-5,13H,6H2,1-2H3
InChI Key:
CCVPSRPSVVCLJP-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)C(C)(C)OB2O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.011g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.918g/mol
Monoisotopic Mass:
254.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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