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57135-68-9

57135-68-9 structural image
Product Name: 2-CHLORO-5-NITROPHENYL ISOTHIOCYANATE
Formula: C7H3ClN2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 214.63 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 213.9603762 g/mol
Monoisotopic Mass 213.9603762 g/mol
Topological Polar Surface Area 90.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 249
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes