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99853-24-4 | 3-Bromo-4-ethoxycinnamic acid
CAS No: 99853-24-4 Catalog No: AG003W13 MDL No:MFCD09714519
Product Description
Catalog Number:
AG003W13
Chemical Name:
3-Bromo-4-ethoxycinnamic acid
CAS Number:
99853-24-4
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
MDL Number:
MFCD09714519
IUPAC Name:
(E)-3-(3-bromo-4-ethoxyphenyl)prop-2-enoic acid
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
SMILES:
CCOc1ccc(cc1Br)C=CC(=O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
269.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.11g/mol
Monoisotopic Mass:
269.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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