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81590-55-8 | Ethyl 4-(2-Bromoacetyl);benzoate
CAS No: 81590-55-8 Catalog No: AG0058EC MDL No:MFCD18382322
Product Description
Catalog Number:
AG0058EC
Chemical Name:
Ethyl 4-(2-Bromoacetyl);benzoate
CAS Number:
81590-55-8
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
MDL Number:
MFCD18382322
IUPAC Name:
ethyl 4-(2-bromoacetyl)benzoate
InChI:
InChI=1S/C11H11BrO3/c1-2-15-11(14)9-5-3-8(4-6-9)10(13)7-12/h3-6H,2,7H2,1H3
InChI Key:
XMIVTAOFQJBIGO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(=O)CBr
Properties
Complexity:
232
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:
0
Isotope Atom Count:
0
Molecular Weight:
271.11g/mol
Monoisotopic Mass:
269.989g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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