3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid

3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid

CAS: 51314-72-8

Formula: C11H11BrO4

SMILES: COC1=CC(C=CC(O)=O)=CC(Br)=C1OC

IUPAC: 3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid

InChI: InChI=1S/C11H11BrO4/c1-15-9-6-7(3-4-10(13)14)5-8(12)11(9)16-2/h3-6H,1-2H3,(H,13,14)

Composition: C (46.02%), H (3.86%), Br (27.83%), O (22.29%)

Molar Mass: 287.109

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	285.984072
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XPEVBCFMEHTNHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.61
Topological Polar Surface Area	55.76
Polarizability	24.1
Ring Count	1
Rotatable Bond Count	4

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95%	<5 Days	51314-72-8		$1,474.00-$3,894.00$1,474.00$2,596.00$3,894.00