Home Halogens Cyclohexanecarboxylicacid, 3-bromo-2-oxo-, ethyl ester

Cyclohexanecarboxylicacid, 3-bromo-2-oxo-, ethyl ester

CAS No.:
30132-23-1
Catalog Number:
AG007JHP
Molecular Formula:
C9H13BrO3
Molecular Weight:
249.1017
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Product Description
Catalog Number:
AG007JHP
Chemical Name:
Cyclohexanecarboxylicacid, 3-bromo-2-oxo-, ethyl ester
CAS Number:
30132-23-1
Molecular Formula:
C9H13BrO3
Molecular Weight:
249.1017
MDL Number:
MFCD00019455
IUPAC Name:
ethyl 3-bromo-2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C9H13BrO3/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h6-7H,2-5H2,1H3
InChI Key:
VKCMWLOBUILIOQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCC(C1=O)Br
EC Number:
250-065-6
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.005g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.104g/mol
Monoisotopic Mass:
248.005g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties