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  • Methanone,(4-chlorophenyl)(4-methylphenyl)
Name:Methanone,(4-chlorophenyl)(4-methylphenyl)
CAS No:5395-79-9

PRODUCT DESCRIPTION

【Name】
Methanone,(4-chlorophenyl)(4-methylphenyl)-
【Iupac name】
(4-chlorophenyl)-(4-methylphenyl)methanone
【CAS Registry number】
5395-79-9
【Synonyms】
Benzophenone,4-chloro-4'-methyl- (6CI,7CI,8CI)
(4-Chlorophenyl)(4-methylphenyl)methanone
4-Chloro-4'-methylbenzophenone
4-Chlorophenyl 4-methylphenyl ketone
NSC 29
【Molecular Formula】
C14H11 Cl O (Products with the same molecular formula)
【Molecular Weight】
230.69
【Inchi】
InChI=1/C14H11ClO/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(15)9-7-12/h2-9H,1H3
【Canonical SMILES】
CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
【MOL File】
5395-79-9.mol

Chemical and Physical Properties

【Density】
1.178g/cm3
【Boiling Point】
364.5°Cat760mmHg
【Refractive Index】
1.586
【Flash Point】
197.3°C
【Computed Properties】
Molecular Weight:230.68954 [g/mol]
Molecular Formula:C14H11ClO
XLogP3-AA:4.3
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:4
Exact Mass:230.049843
MonoIsotopic Mass:230.049843
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Formal Charge:0
Complexity:235
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:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:3

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