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Home > Nitro Compounds > 7343-61-5
7343-61-5 | 2,4-Dinitro-1-[(phenylmethyl)thio]benzene
CAS No: 7343-61-5 Catalog No: AG00FPPT MDL No:
Product Description
Catalog Number:
AG00FPPT
Chemical Name:
2,4-Dinitro-1-[(phenylmethyl)thio]benzene
CAS Number:
7343-61-5
IUPAC Name:
1-benzylsulfanyl-2,4-dinitrobenzene
InChI:
InChI=1S/C13H10N2O4S/c16-14(17)11-6-7-13(12(8-11)15(18)19)20-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
DLJPDAHCABYQTO-UHFFFAOYSA-N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.036g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.293g/mol
Monoisotopic Mass:
290.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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