3-Bromo-4-ethoxycinnamic Acid - CAS 99853-24-4

Catalog:	BB071550
Product Name:	3-Bromo-4-ethoxycinnamic Acid
CAS:	99853-24-4
Synonyms:	3-Bromo-4-ethoxycinnamic acid; 3-(3-Bromo-4-ethoxyphenyl)acrylic acid; (E)-3-(3-bromo-4-ethoxyphenyl)prop-2-enoic acid; 3-(3-Bromo-4-ethoxyphenyl)acrylicacid

Technical Data

Computed Properties

IUPAC Name:	(E)-3-(3-bromo-4-ethoxyphenyl)prop-2-enoic acid
Molecular Weight:	271.11
Molecular Formula:	C11H11BrO3
Canonical SMILES:	CCOC1=C(C=C(C=C1)C=CC(=O)O)Br
InChI:	InChI=1S/C11H11BrO3/c1-2-15-10-5-3-8(7-9(10)12)4-6-11(13)14/h3-7H,2H2,1H3,(H,13,14)/b6-4+
InChI Key:	GTHHPORFQMDCHR-GQCTYLIASA-N

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Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	269.98916
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	269.98916
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9