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Home > Boronic Acids > 1257642-71-9
1257642-71-9 | 4H-1,3,6,2-Dioxazaborocine-4,8(5H)-dione, 2-(6-chloro-3-pyridinyl)dihydro-6-methyl-
CAS No: 1257642-71-9 Catalog No: AG000ONR MDL No:MFCD11215241
Product Description
Catalog Number:
AG000ONR
Chemical Name:
4H-1,3,6,2-Dioxazaborocine-4,8(5H)-dione, 2-(6-chloro-3-pyridinyl)dihydro-6-methyl-
CAS Number:
1257642-71-9
Molecular Formula:
C10H10BClN2O4
Molecular Weight:
268.4614
MDL Number:
MFCD11215241
IUPAC Name:
2-(6-chloropyridin-3-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C10H10BClN2O4/c1-14-5-9(15)17-11(18-10(16)6-14)7-2-3-8(12)13-4-7/h2-4H,5-6H2,1H3
InChI Key:
PVUDAIRKNDZTBL-UHFFFAOYSA-N
SMILES:
CN1CC(=O)OB(OC(=O)C1)c1ccc(nc1)Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.46g/mol
Monoisotopic Mass:
268.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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