2-{[(4-bromophenyl)amino]methyl}-6-(prop-2-en-1-yl)phenol

2-{[(4-bromophenyl)amino]methyl}-6-(prop-2-en-1-yl)phenol

Formula: C16H16BrNO

SMILES: OC1=C(CNC2=CC=C(Br)C=C2)C=CC=C1CC=C

IUPAC: 2-{[(4-bromophenyl)amino]methyl}-6-(prop-2-en-1-yl)phenol

InChI: InChI=1S/C16H16BrNO/c1-2-4-12-5-3-6-13(16(12)19)11-18-15-9-7-14(17)8-10-15/h2-3,5-10,18-19H,1,4,11H2

Composition: C (60.39%), H (5.07%), Br (25.11%), N (4.40%), O (5.03%)

Molar Mass: 318.214

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	317.041527
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	VTCAYYAODRNKKJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.76
Topological Polar Surface Area	32.26
Polarizability	31.46
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H16BrNO		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00