methyl 2-(5-bromo-4-formyl-2-methoxyphenoxy)propanoate

methyl 2-(5-bromo-4-formyl-2-methoxyphenoxy)propanoate

CAS: 879180-61-7

Formula: C12H13BrO5

SMILES: COC(=O)C(C)OC1=CC(Br)=C(C=O)C=C1OC

IUPAC: methyl 2-(5-bromo-4-formyl-2-methoxyphenoxy)propanoate

InChI: InChI=1/C12H13BrO5/c1-7(12(15)17-3)18-11-5-9(13)8(6-14)4-10(11)16-2/h4-7H,1-3H3

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	1
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	QKCIXECUWOOTOG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.54
Topological Polar Surface Area	61.83
Polarizability	26.55
Ring Count	1
Rotatable Bond Count	6

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