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199-17-7 | [1,3,5,2,4,6]Triazatriborino[2,1-b:4,3-b':6,5-b'']tris[1,3,2]benzoxazaborole
CAS No: 199-17-7 Catalog No: AG002BVS MDL No:
Product Description
Catalog Number:
AG002BVS
Chemical Name:
[1,3,5,2,4,6]Triazatriborino[2,1-b:4,3-b':6,5-b'']tris[1,3,2]benzoxazaborole
CAS Number:
199-17-7
Molecular Formula:
C18H12B3N3O3
Molecular Weight:
350.7392
IUPAC Name:
9,18,27-trioxa-2,11,20-triaza-1,10,19-triboraheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-3,5,7,12,14,16,21,23,25-nonaene
InChI:
InChI=1S/C18H12B3N3O3/c1-4-10-16-13(7-1)22-19(25-16)23-15-9-3-6-12-18(15)27-21(23)24-14-8-2-5-11-17(14)26-20(22)24/h1-12H
InChI Key:
PSYHSBYIUUYYKF-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)N1B(O2)N2c3ccccc3OB2N2B1Oc1c2cccc1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.116g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.742g/mol
Monoisotopic Mass:
351.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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