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Home > Boronic Acids > 457613-78-4
457613-78-4 | (4-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]PHENYL)BORONIC ACID
CAS No: 457613-78-4 Catalog No: AG00DADK MDL No:MFCD10696663
Product Description
Catalog Number:
AG00DADK
Chemical Name:
(4-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]PHENYL)BORONIC ACID
CAS Number:
457613-78-4
Molecular Formula:
C15H23BN2O4
Molecular Weight:
306.1651
MDL Number:
MFCD10696663
IUPAC Name:
[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid
InChI:
InChI=1S/C15H23BN2O4/c1-15(2,3)22-14(19)18-10-8-17(9-11-18)13-6-4-12(5-7-13)16(20)21/h4-7,20-21H,8-11H2,1-3H3
InChI Key:
BXGOBSWUEXKOIH-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C)O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.175g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.169g/mol
Monoisotopic Mass:
306.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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