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Home > Nitro Compounds > 20114-05-0
20114-05-0 | Benzene, 1-[(4-methylphenyl)thio]-2,4-dinitro-
CAS No: 20114-05-0 Catalog No: AG002D7M MDL No:
Product Description
Catalog Number:
AG002D7M
Chemical Name:
Benzene, 1-[(4-methylphenyl)thio]-2,4-dinitro-
CAS Number:
20114-05-0
Molecular Formula:
C13H10N2O4S
Molecular Weight:
290.2945
IUPAC Name:
1-(4-methylphenyl)sulfanyl-2,4-dinitrobenzene
InChI:
InChI=1S/C13H10N2O4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3
InChI Key:
BBYJXKMKDGGATD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
122655
Properties
Complexity:
360
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:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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