3-[(4-methylphenyl)...

3-[(4-methylphenyl)sulfonyl]quinazolin-4(3H)-one(CAS No. 5465-78-1)

3-[(4-methylphenyl)sulfonyl]quinazolin-4(3H)-one(CAS No. 5465-78-1)

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3-(4-methylphenyl)sulfonylquinazolin-4-one 5465-78-1 98%

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Identification and Related Records
【Name】
3-[(4-methylphenyl)sulfonyl]quinazolin-4(3H)-one
【CAS Registry number】
5465-78-1
【Synonyms】
3-[(4-methylphenyl)sulfonyl]quinazolin-4(3h)-one
NSC25840
AC1L5K3G
AC1Q6VF2
AR-1F0644
NSC-25840
3-(4-methylphenyl)sulfonylquinazolin-4-one
【Molecular Formula】
C15H12N2O3S (Products with the same molecular formula)
【Molecular Weight】
300.3324
【Inchi】
InChI=1/C15H12N2O3S/c1-11-6-8-12(9-7-11)21(19,20)17-10-16-14-5-3-2-4-13(14)15(17)18/h2-10H,1H3
【Canonical SMILES】
CC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C3C2=O
【MOL File】
5465-78-1.mol
Chemical and Physical Properties
【Density】
1.36g/cm3
【Boiling Point】
496.7°C at 760 mmHg
【Refractive Index】
1.659
【Flash Point】
254.2°C
【Computed Properties】
Molecular Weight:300.33238 [g/mol]
Molecular Formula:C15H12N2O3S
XLogP3-AA:2.4
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:300.056863
MonoIsotopic Mass:300.056863
Topological Polar Surface Area:75.2
Heavy Atom Count:21
Formal Charge:0
Complexity:530
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:4
Feature 3D Ring Count:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:6

 

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