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Home > Boronic Acids > 1218790-80-7
1218790-80-7 | Carbamic acid, N-(5-borono-2-pyridinyl)-N-methyl-, C-(1,1-dimethylethyl) ester
CAS No: 1218790-80-7 Catalog No: AG0016AD MDL No:MFCD12756422
Product Description
Catalog Number:
AG0016AD
Chemical Name:
Carbamic acid, N-(5-borono-2-pyridinyl)-N-methyl-, C-(1,1-dimethylethyl) ester
CAS Number:
1218790-80-7
Molecular Formula:
C11H17BN2O4
Molecular Weight:
252.0747
MDL Number:
MFCD12756422
IUPAC Name:
[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C11H17BN2O4/c1-11(2,3)18-10(15)14(4)9-6-5-8(7-13-9)12(16)17/h5-7,16-17H,1-4H3
InChI Key:
YUYFBQXOHVMJOA-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccc(cn1)B(O)O)C)OC(C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.128g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.077g/mol
Monoisotopic Mass:
252.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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