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Home > Boronic Acids > 1309981-05-2
1309981-05-2 | Carbamic acid, N-[(5-borono-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1309981-05-2 Catalog No: AG000V94 MDL No:MFCD07374885
Product Description
Catalog Number:
AG000V94
Chemical Name:
Carbamic acid, N-[(5-borono-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1309981-05-2
Molecular Formula:
C11H17BN2O4
Molecular Weight:
252.0747
MDL Number:
MFCD07374885
IUPAC Name:
[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C11H17BN2O4/c1-11(2,3)18-10(15)14-6-8-4-9(12(16)17)7-13-5-8/h4-5,7,16-17H,6H2,1-3H3,(H,14,15)
InChI Key:
QPHNJNSTPOSZSM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cncc(c1)B(O)O
Properties
Complexity:
281
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:
3
Isotope Atom Count:
0
Molecular Weight:
252.077g/mol
Monoisotopic Mass:
252.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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