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Home > Boronic Acids > 1256359-98-4
1256359-98-4 | Carbamic acid, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-, phenylmethyl ester
CAS No: 1256359-98-4 Catalog No: AG000O6V MDL No:MFCD16295114
Product Description
Catalog Number:
AG000O6V
Chemical Name:
Carbamic acid, N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-, phenylmethyl ester
CAS Number:
1256359-98-4
Molecular Formula:
C18H22BN3O4
Molecular Weight:
355.1960
MDL Number:
MFCD16295114
IUPAC Name:
benzyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]carbamate
InChI:
InChI=1S/C18H22BN3O4/c1-17(2)18(3,4)26-19(25-17)14-10-20-15(21-11-14)22-16(23)24-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,20,21,22,23)
InChI Key:
NZIYVGONUAHWNB-UHFFFAOYSA-N
SMILES:
O=C(Nc1ncc(cn1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.17g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.201g/mol
Monoisotopic Mass:
355.17g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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