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1457-32-5 | 7H-Dibenzo[c,h]phenothiazine, 7-(2-chloroethyl)-
CAS No: 1457-32-5 Catalog No: AG001DC3 MDL No:
Product Description
Catalog Number:
AG001DC3
Chemical Name:
7H-Dibenzo[c,h]phenothiazine, 7-(2-chloroethyl)-
CAS Number:
1457-32-5
Molecular Formula:
C22H16ClNS
Molecular Weight:
361.8871
IUPAC Name:
13-(2-chloroethyl)-2-thia-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
InChI:
InChI=1S/C22H16ClNS/c23-13-14-24-19-11-9-15-5-1-3-7-17(15)21(19)25-22-18-8-4-2-6-16(18)10-12-20(22)24/h1-12H,13-14H2
InChI Key:
LGSUQZALUDMXLK-UHFFFAOYSA-N
SMILES:
ClCCN1c2ccc3c(c2Sc2c1ccc1c2cccc1)cccc3
NSC Number:
52521
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.069g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.887g/mol
Monoisotopic Mass:
361.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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