2-(5-bromo-4-formyl-2-methoxyphenoxy)ethyl acetate

2-(5-bromo-4-formyl-2-methoxyphenoxy)ethyl acetate

CAS: 836662-18-1

Formula: C12H13BrO5

SMILES: COC1=CC(C=O)=C(Br)C=C1OCCOC(C)=O

IUPAC: 2-(5-bromo-4-formyl-2-methoxyphenoxy)ethyl acetate

InChI: InChI=1S/C12H13BrO5/c1-8(15)17-3-4-18-12-6-10(13)9(7-14)5-11(12)16-2/h5-7H,3-4H2,1-2H3

Composition: C (45.45%), H (4.13%), Br (25.20%), O (25.22%)

Molar Mass: 317.135

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	315.994637
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SEZGOHAUZNZUNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.64
Topological Polar Surface Area	61.83
Polarizability	26.55
Ring Count	1
Rotatable Bond Count	7

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