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81957-76-8 | Mianserin-d3
CAS No: 81957-76-8 Catalog No: AG0055F3 MDL No:
Product Description
Catalog Number:
AG0055F3
Chemical Name:
Mianserin-d3
CAS Number:
81957-76-8
Molecular Formula:
C18H17D3N2
Molecular Weight:
267.3833
IUPAC Name:
5-(trideuteriomethyl)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
InChI:
InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/i1D3
InChI Key:
UEQUQVLFIPOEMF-FIBGUPNXSA-N
SMILES:
C([2H])(N1CCN2C(C1)c1ccccc1Cc1c2cccc1)([2H])[2H]
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.181g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3
Molecular Weight:
267.39g/mol
Monoisotopic Mass:
267.181g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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