2-chloro-5-methylph...

2-chloro-5-methylphenanthridin-6(5H)-one(CAS No. 54960-76-8)

2-chloro-5-methylphenanthridin-6(5H)-one(CAS No. 54960-76-8)

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2-chloro-5-methyl-phenanthridin-6-one 54960-76-8 98%

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  • Appearance:Solid
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Details:

【Name】
2-chloro-5-methylphenanthridin-6(5H)-one
【CAS Registry number】
54960-76-8
【Synonyms】
2-chloro-5-methylphenanthridin-6(5h)-one
NSC141585
AC1Q3SMB
AC1L6263
AR-1E0318
2-chloro-5-methylphenanthridin-6-one
NSC-141585
【Molecular Formula】
C14H10ClNO (Products with the same molecular formula)
【Molecular Weight】
243.6883
【Inchi】
InChI=1/C14H10ClNO/c1-16-13-7-6-9(15)8-12(13)10-4-2-3-5-11(10)14(16)17/h2-8H,1H3
【Canonical SMILES】
CN1C2=C(C=C(C=C2)Cl)C3=CC=CC=C3C1=O
【MOL File】
54960-76-8.mol
Chemical and Physical Properties
【Density】
1.313g/cm3
【Boiling Point】
440.5°C at 760 mmHg
【Refractive Index】
1.642
【Flash Point】
220.2°C
【Computed Properties】
Molecular Weight:243.6883 [g/mol]
Molecular Formula:C14H10ClNO
XLogP3-AA:3.3
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:243.045092
MonoIsotopic Mass:243.045092
Topological Polar Surface Area:20.3
Heavy Atom Count:17
Formal Charge:0
Complexity:319
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:1
Feature 3D Ring Count:3
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

 

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