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Home > Boronic Acids > 2096333-90-1
2096333-90-1 | 3-Bromo-5-carboxyphenylboronic acid, pinacol ester
CAS No: 2096333-90-1 Catalog No: AG01EHBZ MDL No:MFCD21333034
Product Description
Catalog Number:
AG01EHBZ
Chemical Name:
3-Bromo-5-carboxyphenylboronic acid, pinacol ester
CAS Number:
2096333-90-1
MDL Number:
MFCD21333034
IUPAC Name:
3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H16BBrO4/c1-12(2)13(3,4)19-14(18-12)9-5-8(11(16)17)6-10(15)7-9/h5-7H,1-4H3,(H,16,17)
InChI Key:
SMJHVOLVWQZJPP-UHFFFAOYSA-N
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.033g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.981g/mol
Monoisotopic Mass:
326.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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