2-bromo-4-formyl-6-methoxyphenyl benzoate

2-bromo-4-formyl-6-methoxyphenyl benzoate

CAS: 432020-70-7

Formula: C15H11BrO4

SMILES: COC1=CC(C=O)=CC(Br)=C1OC(=O)C1=CC=CC=C1

IUPAC: 2-bromo-4-formyl-6-methoxyphenyl benzoate

InChI: InChI=1S/C15H11BrO4/c1-19-13-8-10(9-17)7-12(16)14(13)20-15(18)11-5-3-2-4-6-11/h2-9H,1H3

Composition: C (53.76%), H (3.31%), Br (23.84%), O (19.09%)

Molar Mass: 335.153

Atom Count: 31

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	333.984072
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YYHNZFBLHBENOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.53
Topological Polar Surface Area	52.6
Polarizability	29.74
Ring Count	2
Rotatable Bond Count	5

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