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30880-64-9

30880-64-9 structural image
Product Name: 2-[(2-CHLORO-4-NITROPHENYL)SULFANYL]ACETIC ACID
Formula: C8H6ClNO4S
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COMPUTED DESCRIPTORS

Molecular Weight 247.66 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 246.9706065 g/mol
Monoisotopic Mass 246.9706065 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 258
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