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827303-13-9

827303-13-9 | Acridine, 9-[(oxiranylmethyl)thio]-

CAS No: 827303-13-9 Catalog No: AG004VTY MDL No:

Product Description

Catalog Number:
AG004VTY
Chemical Name:
Acridine, 9-[(oxiranylmethyl)thio]-
CAS Number:
827303-13-9
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
9-(oxiran-2-ylmethylsulfanyl)acridine
InChI:
InChI=1S/C16H13NOS/c1-3-7-14-12(5-1)16(19-10-11-9-18-11)13-6-2-4-8-15(13)17-14/h1-8,11H,9-10H2
InChI Key:
KKQGPTNQIKKQAT-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(SCC1CO1)c1c(n2)cccc1

Properties

Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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