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175135-12-3 | 2-Propenoic acid, 3-(5-bromo-2-ethoxyphenyl)-
CAS No: 175135-12-3 Catalog No: AG002062 MDL No:MFCD11651865
Product Description
Catalog Number:
AG002062
Chemical Name:
2-Propenoic acid, 3-(5-bromo-2-ethoxyphenyl)-
CAS Number:
175135-12-3
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
MDL Number:
MFCD11651865
IUPAC Name:
3-(5-bromo-2-ethoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H11BrO3/c1-2-15-10-5-4-9(12)7-8(10)3-6-11(13)14/h3-7H,2H2,1H3,(H,13,14)
InChI Key:
ZMQAXIQIWCZKPZ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C=CC(=O)O)Br
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
2.9
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