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85465-53-8 | 2-Butenoic acid, 2-bromo-4-fluoro-3-(3-methoxyphenyl)-, ethyl ester
CAS No: 85465-53-8 Catalog No: AG004JU4 MDL No:
Product Description
Catalog Number:
AG004JU4
Chemical Name:
2-Butenoic acid, 2-bromo-4-fluoro-3-(3-methoxyphenyl)-, ethyl ester
CAS Number:
85465-53-8
Molecular Formula:
C13H14BrFO3
Molecular Weight:
317.1509
IUPAC Name:
ethyl 2-bromo-4-fluoro-3-(3-methoxyphenyl)but-2-enoate
InChI:
InChI=1S/C13H14BrFO3/c1-3-18-13(16)12(14)11(8-15)9-5-4-6-10(7-9)17-2/h4-7H,3,8H2,1-2H3
InChI Key:
OYVITEXMWXGKEH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(c1cccc(c1)OC)CF)Br
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.154g/mol
Monoisotopic Mass:
316.011g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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