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N-(2-methylsulfanylphenyl)-3-nitro-benzamide 51942-39-3 98%
Identification and Related Records
【Name】
N-(2-methylsulfanylphenyl)-3-nitro-benzamide
【CAS Registry number】
51942-39-3
【Synonyms】
NSC205090
AC1L7AHC
MolPort-003-633-043
ZINC01740727
NSC-205090
N-(2-methylsulfanylphenyl)-3-nitrobenzamide
T5600547
F2890-0007
51942-39-3
【Molecular Formula】
C14H12N2O3S (Products with the same molecular formula)
【Molecular Weight】
288.32168
Chemical and Physical Properties
【Density】
1.35g/cm3
【Boiling Point】
371.8°Cat760mmHg
【Flash Point】
178.7°C
【Computed Properties】
Molecular Weight:288.32168 [g/mol]
Molecular Formula:C14H12N2O3S
XLogP3:3
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:288.056863
MonoIsotopic Mass:288.056863
Topological Polar Surface Area:100
Heavy Atom Count:20
Formal Charge:0
Complexity:359
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
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:15
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