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1263376-49-3 | 4-Chloro-2,5-difluorophenylisothiocyanate
CAS No: 1263376-49-3 Catalog No: AG01FBJN MDL No:MFCD18379747
Product Description
Catalog Number:
AG01FBJN
Chemical Name:
4-Chloro-2,5-difluorophenylisothiocyanate
CAS Number:
1263376-49-3
Molecular Formula:
C7H2ClF2NS
Molecular Weight:
205.6123
MDL Number:
MFCD18379747
IUPAC Name:
1-chloro-2,5-difluoro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H2ClF2NS/c8-4-1-6(10)7(11-3-12)2-5(4)9/h1-2H
InChI Key:
FZICMKIORMLMJX-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(F)c(cc1F)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:
204.956g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.607g/mol
Monoisotopic Mass:
204.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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