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162654-25-3 | 1,3,2-Dioxaborinane, 2-[4-(bromomethyl)phenyl]-
CAS No: 162654-25-3 Catalog No: AG001TAS MDL No:
Product Description
Catalog Number:
AG001TAS
Chemical Name:
1,3,2-Dioxaborinane, 2-[4-(bromomethyl)phenyl]-
CAS Number:
162654-25-3
Molecular Formula:
C10H12BBrO2
Molecular Weight:
254.9161
IUPAC Name:
2-[4-(bromomethyl)phenyl]-1,3,2-dioxaborinane
InChI:
InChI=1S/C10H12BBrO2/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h2-5H,1,6-8H2
InChI Key:
XTDQDPLDIDTCCW-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)B1OCCCO1
Properties
Complexity:
166
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:
0
Isotope Atom Count:
0
Molecular Weight:
254.918g/mol
Monoisotopic Mass:
254.011g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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