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501014-45-5 | 2-(2-(9H-Carbazol-9-yl)ethyl)-1,3,6,2-dioxazaborocane
CAS No: 501014-45-5 Catalog No: AG003EYM MDL No:
Product Description
Catalog Number:
AG003EYM
Chemical Name:
2-(2-(9H-Carbazol-9-yl)ethyl)-1,3,6,2-dioxazaborocane
CAS Number:
501014-45-5
Molecular Formula:
C18H21BN2O2
Molecular Weight:
308.1825
IUPAC Name:
2-(2-carbazol-9-ylethyl)-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C18H21BN2O2/c1-3-7-17-15(5-1)16-6-2-4-8-18(16)21(17)12-9-19-22-13-10-20-11-14-23-19/h1-8,20H,9-14H2
InChI Key:
CNGIVLLERALTLT-UHFFFAOYSA-N
SMILES:
N1CCOB(OCC1)CCn1c2ccccc2c2c1cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.17g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.188g/mol
Monoisotopic Mass:
308.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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