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114566-93-7 | 2-Butenoic acid, 4-bromo-3-(4-chlorophenyl)-, ethyl ester
CAS No: 114566-93-7 Catalog No: AG000EOV MDL No:
Product Description
Catalog Number:
AG000EOV
Chemical Name:
2-Butenoic acid, 4-bromo-3-(4-chlorophenyl)-, ethyl ester
CAS Number:
114566-93-7
Molecular Formula:
C12H12BrClO2
Molecular Weight:
303.5795
IUPAC Name:
ethyl 4-bromo-3-(4-chlorophenyl)but-2-enoate
InChI:
InChI=1S/C12H12BrClO2/c1-2-16-12(15)7-10(8-13)9-3-5-11(14)6-4-9/h3-7H,2,8H2,1H3
InChI Key:
HJYWPHYBPWQAHY-UHFFFAOYSA-N
SMILES:
BrCC(=CC(=O)OCC)c1ccc(cc1)Cl
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.58g/mol
Monoisotopic Mass:
301.971g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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