Home Halogens 2-Oxo-2-phenylethyl 4-bromobut-2-enoate

2-Oxo-2-phenylethyl 4-bromobut-2-enoate

CAS No.:
154561-38-3
Catalog Number:
AG003TNR
Molecular Formula:
C12H11BrO3
Molecular Weight:
283.1179
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Product Description
Catalog Number:
AG003TNR
Chemical Name:
2-Oxo-2-phenylethyl 4-bromobut-2-enoate
CAS Number:
154561-38-3
Molecular Formula:
C12H11BrO3
Molecular Weight:
283.1179
IUPAC Name:
phenacyl (E)-4-bromobut-2-enoate
InChI:
InChI=1S/C12H11BrO3/c13-8-4-7-12(15)16-9-11(14)10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+
InChI Key:
JARTYZWEUJDLPS-QPJJXVBHSA-N
SMILES:
BrC/C=C/C(=O)OCC(=O)c1ccccc1
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
281.989g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.121g/mol
Monoisotopic Mass:
281.989g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties