3-(5-bromo-2-ethoxyphenyl)prop-2-enoic acid

3-(5-bromo-2-ethoxyphenyl)prop-2-enoic acid

CAS: 575469-48-6

Formula: C11H11BrO3

SMILES: CCOC1=C(C=CC(O)=O)C=C(Br)C=C1

IUPAC: 3-(5-bromo-2-ethoxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C11H11BrO3/c1-2-15-10-5-4-9(12)7-8(10)3-6-11(13)14/h3-7H,2H2,1H3,(H,13,14)

Composition: C (48.73%), H (4.09%), Br (29.47%), O (17.70%)

Molar Mass: 271.11

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	269.989157
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZMQAXIQIWCZKPZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.89
Topological Polar Surface Area	46.53
Polarizability	23.34
Ring Count	1
Rotatable Bond Count	4

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