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Home Boronic acids (3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid

(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid

CAS No.:
1704067-25-3
Catalog Number:
AG00AR8S
Molecular Formula:
C15H21BF2N2O4
Molecular Weight:
342.1460
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Purity
Availability
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Price(USD)
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1g
95%
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United States
$702
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Product Description
Catalog Number:
AG00AR8S
Chemical Name:
(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4,5-difluorophenyl)boronic acid
CAS Number:
1704067-25-3
Molecular Formula:
C15H21BF2N2O4
Molecular Weight:
342.1460
MDL Number:
MFCD28384256
IUPAC Name:
[3,4-difluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid
InChI:
InChI=1S/C15H21BF2N2O4/c1-15(2,3)24-14(21)20-6-4-19(5-7-20)12-9-10(16(22)23)8-11(17)13(12)18/h8-9,22-23H,4-7H2,1-3H3
InChI Key:
QBIKXHHYRQYSMH-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cc(cc(c1F)F)B(O)O)OC(C)(C)C
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.156g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
342.15g/mol
Monoisotopic Mass:
342.156g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties