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3-amino-1-(4-chlorophenyl)propan-1-one 5442-48-8 98%
【Name】
3-amino-1-(4-chlorophenyl)propan-1-one
【Iupac name】
3-amino-1-(4-chlorophenyl)propan-1-one hydrochloride
【CAS Registry number】
5442-48-8
【Synonyms】
NSC13011
NSC-13011
5442-48-8
【Molecular Formula】
C9H10ClNO (Products with the same molecular formula)
【Molecular Weight】
183.6348
【Inchi】
InChI=1/C9H10ClNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5-6,11H2
【Canonical SMILES】
C1=CC(=CC=C1C(=O)CCN)Cl.Cl
【MOL File】
5442-48-8.mol
Chemical and Physical Properties
【Density】
1.199g/cm3
【Boiling Point】
321.3°C at 760 mmHg
【Refractive Index】
1.557
【Flash Point】
148.1°C
【Computed Properties】
Molecular Weight:220.09574 [g/mol]
Molecular Formula:C9H11Cl2NO
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:219.021769
MonoIsotopic Mass:219.021769
Topological Polar Surface Area:43.1
Heavy Atom Count:13
Formal Charge:0
Complexity:153
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:2
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