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Home > Boronic Acids > 1287221-38-8
1287221-38-8 | 2-(5-bromo-2-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS No: 1287221-38-8 Catalog No: AG00HRUF MDL No:MFCD27957323
Product Description
Catalog Number:
AG00HRUF
Chemical Name:
2-(5-bromo-2-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number:
1287221-38-8
Molecular Formula:
C12H13BBrNO5
Molecular Weight:
341.9503
MDL Number:
MFCD27957323
IUPAC Name:
2-(5-bromo-2-methoxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C12H13BBrNO5/c1-15-6-11(16)19-13(20-12(17)7-15)9-5-8(14)3-4-10(9)18-2/h3-5H,6-7H2,1-2H3
InChI Key:
UDRIHFWQAGCIPM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B1OC(=O)CN(CC(=O)O1)C)Br
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.952g/mol
Monoisotopic Mass:
341.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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