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1092350-26-9 | 2-Chloro-6-fluorobenzyl isothiocyanate
CAS No: 1092350-26-9 Catalog No: AG01FCIN MDL No:MFCD06740514
Product Description
Catalog Number:
AG01FCIN
Chemical Name:
2-Chloro-6-fluorobenzyl isothiocyanate
CAS Number:
1092350-26-9
Molecular Formula:
C8H5ClFNS
Molecular Weight:
201.6484
MDL Number:
MFCD06740514
IUPAC Name:
1-chloro-3-fluoro-2-(isothiocyanatomethyl)benzene
InChI:
InChI=1S/C8H5ClFNS/c9-7-2-1-3-8(10)6(7)4-11-5-12/h1-3H,4H2
InChI Key:
BATGRUYLWCJYDZ-UHFFFAOYSA-N
SMILES:
S=C=NCc1c(F)cccc1Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.643g/mol
Monoisotopic Mass:
200.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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