(2E)-3-(3,5-dibromo-4-ethoxyphenyl)prop-2-enoic acid

(2E)-3-(3,5-dibromo-4-ethoxyphenyl)prop-2-enoic acid

CAS: 937599-55-8

Formula: C11H10Br2O3

SMILES: CCOC1=C(Br)C=C(C=CC(O)=O)C=C1Br

IUPAC: (2E)-3-(3,5-dibromo-4-ethoxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C11H10Br2O3/c1-2-16-11-8(12)5-7(6-9(11)13)3-4-10(14)15/h3-6H,2H2,1H3,(H,14,15)/b4-3+

Composition: C (37.75%), H (2.88%), Br (45.66%), O (13.71%)

Molar Mass: 350.006

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	347.89967
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QDJYPFIYKZTBIQ-ONEGZZNKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.52
Topological Polar Surface Area	46.53
Polarizability	26.4
Ring Count	1
Rotatable Bond Count	4

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