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Home > Boronic Acids > 1704074-10-1
1704074-10-1 | (3-((1-(tert-butoxycarbonyl)piperidin-4-yl)carbamoyl)phenyl)boronic acid
CAS No: 1704074-10-1 Catalog No: AG019EOI MDL No:MFCD28384301
Product Description
Catalog Number:
AG019EOI
Chemical Name:
(3-((1-(tert-butoxycarbonyl)piperidin-4-yl)carbamoyl)phenyl)boronic acid
CAS Number:
1704074-10-1
Molecular Formula:
C17H25BN2O5
Molecular Weight:
348.2018
MDL Number:
MFCD28384301
IUPAC Name:
[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C17H25BN2O5/c1-17(2,3)25-16(22)20-9-7-14(8-10-20)19-15(21)12-5-4-6-13(11-12)18(23)24/h4-6,11,14,23-24H,7-10H2,1-3H3,(H,19,21)
InChI Key:
TZFYLPVMLOKGKX-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NC(=O)c1cccc(c1)B(O)O)OC(C)(C)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.186g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
348.206g/mol
Monoisotopic Mass:
348.186g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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