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Home > Boronic Acids > 2096331-74-5
2096331-74-5 | 3-(2-Bromoacetamido)phenylboronic acid, pinacol ester
CAS No: 2096331-74-5 Catalog No: AG01DUCX MDL No:MFCD18783180
Product Description
Catalog Number:
AG01DUCX
Chemical Name:
3-(2-Bromoacetamido)phenylboronic acid, pinacol ester
CAS Number:
2096331-74-5
Molecular Formula:
C14H19BBrNO3
Molecular Weight:
340.0206
MDL Number:
MFCD18783180
IUPAC Name:
2-bromo-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C14H19BBrNO3/c1-13(2)14(3,4)20-15(19-13)10-6-5-7-11(8-10)17-12(18)9-16/h5-8H,9H2,1-4H3,(H,17,18)
InChI Key:
UVTPWSKSUQJQOW-UHFFFAOYSA-N
SMILES:
BrCC(=O)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.024g/mol
Monoisotopic Mass:
339.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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