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16233-08-2

16233-08-2 | 9H-Fluoren-9-one, 3-(methylthio)-2-nitro-

CAS No: 16233-08-2 Catalog No: AG001T0P MDL No:

Product Description

Catalog Number:
AG001T0P
Chemical Name:
9H-Fluoren-9-one, 3-(methylthio)-2-nitro-
CAS Number:
16233-08-2
Molecular Formula:
C14H9NO3S
Molecular Weight:
271.2912
IUPAC Name:
3-methylsulfanyl-2-nitrofluoren-9-one
InChI:
InChI=1S/C14H9NO3S/c1-19-13-7-10-8-4-2-3-5-9(8)14(16)11(10)6-12(13)15(17)18/h2-7H,1H3
InChI Key:
ICUKYFFDTZKTLQ-UHFFFAOYSA-N
SMILES:
CSc1cc2c3ccccc3C(=O)c2cc1[N+](=O)[O-]
NSC Number:
109632

Properties

Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.03g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.29g/mol
Monoisotopic Mass:
271.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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