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477841-90-0 | 4-Bromobenzylboronic acid pinacol ester
CAS No: 477841-90-0 Catalog No: AG00DBMO MDL No:
Product Description
Catalog Number:
AG00DBMO
Chemical Name:
4-Bromobenzylboronic acid pinacol ester
CAS Number:
477841-90-0
Molecular Formula:
C13H18BBrO2
Molecular Weight:
296.9958
IUPAC Name:
2-[(4-bromophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
InChI Key:
GRYKRVPNXCGBIT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)Cc1ccc(cc1)Br
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.999g/mol
Monoisotopic Mass:
296.058g/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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