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265308-10-9 | 2-Pentenoic acid, 2-(2-bromoacetyl)-, methyl ester
CAS No: 265308-10-9 Catalog No: AG002TKS MDL No:
Product Description
Catalog Number:
AG002TKS
Chemical Name:
2-Pentenoic acid, 2-(2-bromoacetyl)-, methyl ester
CAS Number:
265308-10-9
Molecular Formula:
C8H11BrO3
Molecular Weight:
235.0751
IUPAC Name:
methyl 2-(2-bromoacetyl)pent-2-enoate
InChI:
InChI=1S/C8H11BrO3/c1-3-4-6(7(10)5-9)8(11)12-2/h4H,3,5H2,1-2H3
InChI Key:
UCJWRLOFQOGOEC-UHFFFAOYSA-N
SMILES:
CCC=C(C(=O)OC)C(=O)CBr
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.989g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.077g/mol
Monoisotopic Mass:
233.989g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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