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Home > Boronic Acids > 1857348-93-6
1857348-93-6 | 4-Methyl-7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-4h-pyrido[3,2-b][1,4]oxazin-3-one
CAS No: 1857348-93-6 Catalog No: AG00I1KO MDL No:
Product Description
Catalog Number:
AG00I1KO
Chemical Name:
4-Methyl-7-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-4h-pyrido[3,2-b][1,4]oxazin-3-one
CAS Number:
1857348-93-6
Molecular Formula:
C14H19BN2O4
Molecular Weight:
290.1227
IUPAC Name:
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[3,2-b][1,4]oxazin-3-one
InChI:
InChI=1S/C14H19BN2O4/c1-13(2)14(3,4)21-15(20-13)9-6-10-12(16-7-9)17(5)11(18)8-19-10/h6-7H,8H2,1-5H3
InChI Key:
HRPOVNIVVHDOBY-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1C)ncc(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.144g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.126g/mol
Monoisotopic Mass:
290.144g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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