CCOC(=O)C1CCCC(C1=O)Br
CAS: 30132-23-1
Name: ethyl 3-bromo-2-oxocyclohexane-1-carboxylate
SMILES: CCOC(=O)C1CCCC(C1=O)Br

Molecular Processing

Molecular formula
C9H13BrO3
Molecular weight
249.1
Exact mass
248.0048
XLogP
1.68
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
51.7

Supplementary Information

InChIKey: VKCMWLOBUILIOQ-UHFFFAOYSA-N
Synonyms
Ethyl 3-bromo-2-oxocyclohexanecarboxylate30132-23-1EINECS 250-065-6RefChem:138680250-065-6ethyl 3-bromo-2-oxocyclohexane-1-carboxylateMFCD00019455Cyclohexanecarboxylicacid, 3-bromo-2-oxo-, ethyl ester3-Bromo-2-oxo-cyclohexanecarboxylic Acid Ethyl Ester; 2-Bromo-6-(carbethoxy)cyclohexanone; 2-Bromo-6-(ethoxycarbonyl)cyclohexanone; 2-Carbethoxy-6-bromocyclohexanone; 6-Bromo-2-(carbethoxy)cyclohexanone; Ethyl 6-bromocyclohexanone-2-carboxylateCyclohexanecarboxylic acid, 3-bromo-2-oxo-, ethyl esterethyl 6-bromocyclohexanone-2-carboxylateSCHEMBL16174372-carbethoxy-6-bromocyclohexanoneDTXSID609525512-bromo-6-carboethoxycyclohexanoneCS-M0083FBA132232-bromo-6-(carbethoxy)-cyclohexanone2-bromo-6-ethoxycarbonyl-cyclohexanoneAKOS005137985AS-76071SY148514Ethyl 3-bromo-2-oxo-cyclohexanecarboxylateethyl 3-bromo-2-oxocyclohexane-carboxylateDB-068229NS00049768D77362EN300-127399F7884783-bromo-2-oxo-cyclohexane carboxylic acid ethyl ester
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Involved in 13 reactions→

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