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226-52-8 | 14H-Dibenzo[a,h]phenothiazine
CAS No: 226-52-8 Catalog No: AG007O2E MDL No:
Product Description
Catalog Number:
AG007O2E
Chemical Name:
14H-Dibenzo[a,h]phenothiazine
CAS Number:
226-52-8
Molecular Formula:
C20H13NS
Molecular Weight:
299.3889
IUPAC Name:
2-thia-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
InChI:
InChI=1S/C20H13NS/c1-3-7-15-13(5-1)10-12-18-19(15)21-17-11-9-14-6-2-4-8-16(14)20(17)22-18/h1-12,21H
InChI Key:
USOPEIDRWCIIHH-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1Nc3ccc4c(c3Sc1cc2)cccc4
NSC Number:
85189
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.391g/mol
Monoisotopic Mass:
299.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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