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Home > Boronic Acids > 760989-61-5
760989-61-5 | 3-AcetaMido-4-(Methoxycarbonyl)phenylboronic acid, pinacol ester
CAS No: 760989-61-5 Catalog No: AG00G9LY MDL No:MFCD22494597
Product Description
Catalog Number:
AG00G9LY
Chemical Name:
3-AcetaMido-4-(Methoxycarbonyl)phenylboronic acid, pinacol ester
CAS Number:
760989-61-5
Molecular Formula:
C16H22BNO5
Molecular Weight:
319.1606
MDL Number:
MFCD22494597
IUPAC Name:
methyl 2-acetamido-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C16H22BNO5/c1-10(19)18-13-9-11(7-8-12(13)14(20)21-6)17-22-15(2,3)16(4,5)23-17/h7-9H,1-6H3,(H,18,19)
InChI Key:
WDCXANZEXWZEQK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1NC(=O)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.164g/mol
Monoisotopic Mass:
319.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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