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1027513-82-1 | 3,5-Dichloro-4-fluorophenyl isothiocyanate
CAS No: 1027513-82-1 Catalog No: AG01FB4Y MDL No:MFCD09996902
Product Description
Catalog Number:
AG01FB4Y
Chemical Name:
3,5-Dichloro-4-fluorophenyl isothiocyanate
CAS Number:
1027513-82-1
Molecular Formula:
C7H2Cl2FNS
Molecular Weight:
222.0669
MDL Number:
MFCD09996902
IUPAC Name:
1,3-dichloro-2-fluoro-5-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Cl2FNS/c8-5-1-4(11-3-12)2-6(9)7(5)10/h1-2H
InChI Key:
IBUYCHXOCIFZBX-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(Cl)c(c(c1)Cl)F
Properties
Complexity:
196
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
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