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1895912-47-6 | 3,4-Dichloro-2-fluorophenylisothiocyanate
CAS No: 1895912-47-6 Catalog No: AG01FBPU MDL No:
Product Description
Catalog Number:
AG01FBPU
Chemical Name:
3,4-Dichloro-2-fluorophenylisothiocyanate
CAS Number:
1895912-47-6
Molecular Formula:
C7H2Cl2FNS
Molecular Weight:
222.0669
IUPAC Name:
1,2-dichloro-3-fluoro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Cl2FNS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
InChI Key:
BKQUSECQDJWGCO-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1F)Cl)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
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