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Home > Boronic Acids > 1257740-42-3
1257740-42-3 | 6-methyl-2-(3-nitrophenyl)-1,3,6,2-dioxazaborocane-4,8-dione
CAS No: 1257740-42-3 Catalog No: AG00J0HP MDL No:MFCD11215228
Product Description
Catalog Number:
AG00J0HP
Chemical Name:
6-methyl-2-(3-nitrophenyl)-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number:
1257740-42-3
Molecular Formula:
C11H11BN2O6
Molecular Weight:
278.0258
MDL Number:
MFCD11215228
IUPAC Name:
6-methyl-2-(3-nitrophenyl)-1,3,6,2-dioxazaborocane-4,8-dione
InChI:
InChI=1S/C11H11BN2O6/c1-13-6-10(15)19-12(20-11(16)7-13)8-3-2-4-9(5-8)14(17)18/h2-5H,6-7H2,1H3
InChI Key:
COEHPTUYNRXODY-UHFFFAOYSA-N
SMILES:
CN1CC(=O)OB(OC(=O)C1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.027g/mol
Monoisotopic Mass:
278.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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