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1260091-04-0 | 2-Benzoxazolamine, 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1260091-04-0 Catalog No: AG000QRE MDL No:MFCD16995822
Product Description
Catalog Number:
AG000QRE
Chemical Name:
2-Benzoxazolamine, 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1260091-04-0
Molecular Formula:
C13H17BN2O3
Molecular Weight:
260.0967
MDL Number:
MFCD16995822
IUPAC Name:
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine
InChI:
InChI=1S/C13H17BN2O3/c1-12(2)13(3,4)19-14(18-12)8-5-6-9-10(7-8)17-11(15)16-9/h5-7H,1-4H3,(H2,15,16)
InChI Key:
ASSAPUPXNGWQKH-UHFFFAOYSA-N
SMILES:
Nc1nc2c(o1)cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.133g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.1g/mol
Monoisotopic Mass:
260.133g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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