Home Halogens 1,5-dichloro-3-fluoro-2-isothiocyanatobenzene

1,5-dichloro-3-fluoro-2-isothiocyanatobenzene

CAS No.:
1823548-33-9
Catalog Number:
AG01BRH7
Molecular Formula:
C7H2Cl2FNS
Molecular Weight:
222.0669
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Product Description
Catalog Number:
AG01BRH7
Chemical Name:
1,5-dichloro-3-fluoro-2-isothiocyanatobenzene
CAS Number:
1823548-33-9
Molecular Formula:
C7H2Cl2FNS
Molecular Weight:
222.0669
MDL Number:
MFCD28166241
IUPAC Name:
1,5-dichloro-3-fluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Cl2FNS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI Key:
PVTTZZSJLBWJDF-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(F)cc(cc1Cl)Cl
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.927g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.058g/mol
Monoisotopic Mass:
220.927g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties