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77472-39-0

77472-39-0 structural image
Product Name: (3-Nitrobenzyl)mercaptan 97
Formula: O2NC6H4CH2SH
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COMPUTED DESCRIPTORS

Molecular Weight 169.20 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 169.01974964 g/mol
Monoisotopic Mass 169.01974964 g/mol
Topological Polar Surface Area 46.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 146
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