1-(4-aminophenyl)-3-(3-bromophenyl)prop-2-en-1-one

1-(4-aminophenyl)-3-(3-bromophenyl)prop-2-en-1-one

CAS: 876048-06-5

Formula: C15H12BrNO

SMILES: NC1=CC=C(C=C1)C(=O)C=CC1=CC(Br)=CC=C1

IUPAC: 1-(4-aminophenyl)-3-(3-bromophenyl)prop-2-en-1-one

InChI: InChI=1S/C15H12BrNO/c16-13-3-1-2-11(10-13)4-9-15(18)12-5-7-14(17)8-6-12/h1-10H,17H2

Composition: C (59.62%), H (4.00%), Br (26.44%), N (4.64%), O (5.29%)

Molar Mass: 302.171

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.010227
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DKQLPQSRIIAAPZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.2
Topological Polar Surface Area	43.09
Polarizability	29.08
Ring Count	2
Rotatable Bond Count	3

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