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1544-68-9 | 4-Fluorophenyl Isothiocyanate
CAS No: 1544-68-9 Catalog No: AG003LFY MDL No:MFCD00004809
Product Description
Catalog Number:
AG003LFY
Chemical Name:
4-Fluorophenyl Isothiocyanate
CAS Number:
1544-68-9
Molecular Formula:
C7H4FNS
Molecular Weight:
153.1768
MDL Number:
MFCD00004809
IUPAC Name:
1-fluoro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H4FNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChI Key:
NFIUJHJMCQQYDL-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)F
EC Number:
216-280-4
NSC Number:
78433
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.005g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.174g/mol
Monoisotopic Mass:
153.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 1-(Adamantan-1-yl)-3-(4-fluoro-phen-yl)thio-urea. | Acta crystallographica. Section E, Structure reports online 20120501 |
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