(2E)-3-(2-bromo-5-ethoxy-4-methoxyphenyl)prop-2-enoic acid

(2E)-3-(2-bromo-5-ethoxy-4-methoxyphenyl)prop-2-enoic acid

CAS: 423747-21-1

Formula: C12H13BrO4

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

IUPAC: (2E)-3-(2-bromo-5-ethoxy-4-methoxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C12H13BrO4/c1-3-17-11-6-8(4-5-12(14)15)9(13)7-10(11)16-2/h4-7H,3H2,1-2H3,(H,14,15)/b5-4+

Composition: C (47.86%), H (4.35%), Br (26.53%), O (21.25%)

Molar Mass: 301.136

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	299.999722
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ODEMKAOVDNZVQG-SNAWJCMRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.36
Topological Polar Surface Area	55.76
Polarizability	25.9
Ring Count	1
Rotatable Bond Count	5

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