4-acetylphenyl 3-bromo-4-methoxybenzoate

4-acetylphenyl 3-bromo-4-methoxybenzoate

Formula: C16H13BrO4

SMILES: COC1=CC=C(C=C1Br)C(=O)OC1=CC=C(C=C1)C(C)=O

IUPAC: 4-acetylphenyl 3-bromo-4-methoxybenzoate

InChI: InChI=1S/C16H13BrO4/c1-10(18)11-3-6-13(7-4-11)21-16(19)12-5-8-15(20-2)14(17)9-12/h3-9H,1-2H3

Composition: C (55.04%), H (3.75%), Br (22.88%), O (18.33%)

Molar Mass: 349.18

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	347.999722
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DDYPDYGFXQNQDS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.35
Topological Polar Surface Area	52.6
Polarizability	31.55
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H13BrO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00