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Home > Boronic Acids > 374538-00-8
374538-00-8 | 2-(3-Bromophenyl);-6-methyl-1,3,6,2-dioxazaborocane
CAS No: 374538-00-8 Catalog No: AG003J42 MDL No:MFCD02093962
Product Description
Catalog Number:
AG003J42
Chemical Name:
2-(3-Bromophenyl);-6-methyl-1,3,6,2-dioxazaborocane
CAS Number:
374538-00-8
Molecular Formula:
C11H15BBrNO2
Molecular Weight:
283.9573
MDL Number:
MFCD02093962
IUPAC Name:
2-(3-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C11H15BBrNO2/c1-14-5-7-15-12(16-8-6-14)10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3
InChI Key:
CYGPBFLFZQMUBN-UHFFFAOYSA-N
SMILES:
CN1CCOB(OCC1)c1cccc(c1)Br
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.96g/mol
Monoisotopic Mass:
283.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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