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7620-51-1 | 2-Isothiocyanatofluorene
CAS No: 7620-51-1 Catalog No: AG01EXBH MDL No:MFCD03840355
Product Description
Catalog Number:
AG01EXBH
Chemical Name:
2-Isothiocyanatofluorene
CAS Number:
7620-51-1
Molecular Formula:
C14H9NS
Molecular Weight:
223.2930
MDL Number:
MFCD03840355
IUPAC Name:
2-isothiocyanato-9H-fluorene
InChI:
InChI=1S/C14H9NS/c16-9-15-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8H,7H2
InChI Key:
UBBQVOKVPNPBNZ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc2c(c1)Cc1c2cccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.293g/mol
Monoisotopic Mass:
223.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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