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73005-57-9

73005-57-9 | 2-Octyl-10H-phenothiazine

CAS No: 73005-57-9 Catalog No: AG01EX7T MDL No:

Product Description

Catalog Number:
AG01EX7T
Chemical Name:
2-Octyl-10H-phenothiazine
CAS Number:
73005-57-9
Molecular Formula:
C20H25NS
Molecular Weight:
311.4842
IUPAC Name:
2-octyl-10H-phenothiazine
InChI:
InChI=1S/C20H25NS/c1-2-3-4-5-6-7-10-16-13-14-20-18(15-16)21-17-11-8-9-12-19(17)22-20/h8-9,11-15,21H,2-7,10H2,1H3
InChI Key:
KSXKPSYKCGZHHY-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc2c(c1)Nc1c(S2)cccc1

Properties

Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.171g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.487g/mol
Monoisotopic Mass:
311.171g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2  

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