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Home > Nitro Compounds > 77472-39-0
77472-39-0 | (3-Nitrobenzyl)mercaptan
CAS No: 77472-39-0 Catalog No: AG003BSW MDL No:
Product Description
Catalog Number:
AG003BSW
Chemical Name:
(3-Nitrobenzyl)mercaptan
CAS Number:
77472-39-0
IUPAC Name:
(3-nitrophenyl)methanethiol
InChI:
InChI=1S/C7H7NO2S/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2
InChI Key:
MNNASYKPIIJEJF-UHFFFAOYSA-N
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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