(2E)-1-(4-aminophenyl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one

(2E)-1-(4-aminophenyl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one

CAS: 682745-99-9

Formula: C15H11ClFNO

SMILES: NC1=CC=C(C=C1)C(=O)C=CC1=C(Cl)C=CC=C1F

IUPAC: (2E)-1-(4-aminophenyl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one

InChI: InChI=1S/C15H11ClFNO/c16-13-2-1-3-14(17)12(13)8-9-15(19)10-4-6-11(18)7-5-10/h1-9H,18H2/b9-8+

Composition: C (65.35%), H (4.02%), Cl (12.86%), F (6.89%), N (5.08%), O (5.80%)

Molar Mass: 275.71

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	275.0513198
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PURZBRMGOAFYPK-CMDGGOBGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.6
Topological Polar Surface Area	43.09
Polarizability	27.93
Ring Count	2
Rotatable Bond Count	3

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