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1457-31-4

1457-31-4 | 7H-Benzo[c]phenothiazine, 7-(2-chloroethyl)-

CAS No: 1457-31-4 Catalog No: AG001DC4 MDL No:

Product Description

Catalog Number:
AG001DC4
Chemical Name:
7H-Benzo[c]phenothiazine, 7-(2-chloroethyl)-
CAS Number:
1457-31-4
Molecular Formula:
C18H14ClNS
Molecular Weight:
311.8285
IUPAC Name:
7-(2-chloroethyl)benzo[c]phenothiazine
InChI:
InChI=1S/C18H14ClNS/c19-11-12-20-15-7-3-4-8-17(15)21-18-14-6-2-1-5-13(14)9-10-16(18)20/h1-10H,11-12H2
InChI Key:
AKZZPOXEFBSNNP-UHFFFAOYSA-N
SMILES:
ClCCN1c2ccccc2Sc2c1ccc1c2cccc1
NSC Number:
52517

Properties

Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.054g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.827g/mol
Monoisotopic Mass:
311.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

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