Home Halogens Dibenzo[b,f][1,4]thiazepine, 11-chloro-

Dibenzo[b,f][1,4]thiazepine, 11-chloro-

CAS No.:
13745-86-3
Catalog Number:
AG0013B3
Molecular Formula:
C13H8ClNS
Molecular Weight:
245.7273
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Product Description
Catalog Number:
AG0013B3
Chemical Name:
Dibenzo[b,f][1,4]thiazepine, 11-chloro-
CAS Number:
13745-86-3
Molecular Formula:
C13H8ClNS
Molecular Weight:
245.7273
MDL Number:
MFCD01662789
IUPAC Name:
6-chlorobenzo[b][1,4]benzothiazepine
InChI:
InChI=1S/C13H8ClNS/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H
InChI Key:
ZFOZNNFYECYUQB-UHFFFAOYSA-N
SMILES:
ClC1=Nc2ccccc2Sc2c1cccc2
EC Number:
604-020-6
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.007g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.724g/mol
Monoisotopic Mass:
245.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties