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214360-75-5

214360-75-5 | (3-PHTHALIMIDOMETHYLPHENYL)BORONIC ACID PINACOL ESTER

CAS No: 214360-75-5 Catalog No: AG00BEDC MDL No:MFCD02179490

Product Description

Catalog Number:
AG00BEDC
Chemical Name:
(3-PHTHALIMIDOMETHYLPHENYL)BORONIC ACID PINACOL ESTER
CAS Number:
214360-75-5
Molecular Formula:
C21H22BNO4
Molecular Weight:
363.2147
MDL Number:
MFCD02179490
IUPAC Name:
2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C21H22BNO4/c1-20(2)21(3,4)27-22(26-20)15-9-7-8-14(12-15)13-23-18(24)16-10-5-6-11-17(16)19(23)25/h5-12H,13H2,1-4H3
InChI Key:
VUVHVGXLUGUXHJ-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2cccc(c2)B2OC(C(O2)(C)C)(C)C)C(=O)c2c1cccc2

Properties

Complexity:
579  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.164g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.22g/mol
Monoisotopic Mass:
363.164g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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