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Home > Boronic Acids > 1218789-49-1
1218789-49-1 | 1,3,2-Dioxaborolane, 2-[3-bromo-5-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-
CAS No: 1218789-49-1 Catalog No: AG00167I MDL No:MFCD12546588
Product Description
Catalog Number:
AG00167I
Chemical Name:
1,3,2-Dioxaborolane, 2-[3-bromo-5-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-
CAS Number:
1218789-49-1
Molecular Formula:
C16H22BBrO3
Molecular Weight:
353.0591
MDL Number:
MFCD12546588
IUPAC Name:
2-[3-bromo-5-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H22BBrO3/c1-15(2)16(3,4)21-17(20-15)12-7-13(18)9-14(8-12)19-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3
InChI Key:
UJZRFGSKTCMGPZ-UHFFFAOYSA-N
SMILES:
Brc1cc(OCC2CC2)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.063g/mol
Monoisotopic Mass:
352.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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