ethyl 4-(3-bromo-4-formylphenoxy)benzoate

ethyl 4-(3-bromo-4-formylphenoxy)benzoate

CAS: 1196474-68-6

Formula: C16H13BrO4

SMILES: CCOC(=O)C1=CC=C(OC2=CC=C(C=O)C(Br)=C2)C=C1

IUPAC: ethyl 4-(3-bromo-4-formylphenoxy)benzoate

InChI: InChI=1S/C16H13BrO4/c1-2-20-16(19)11-3-6-13(7-4-11)21-14-8-5-12(10-18)15(17)9-14/h3-10H,2H2,1H3

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	2
Hydrogen Bond Donor Count	0
InChIKey	ZETWHASWJSGZSB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.28
Topological Polar Surface Area	52.6
Polarizability	31.62
Ring Count	2
Rotatable Bond Count	6

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