CCOC(=O)C1CCC(=O)C(C1)Br
CAS: 39086-05-0
الاسم: ethyl 3-bromo-4-oxocyclohexane-1-carboxylate
SMILES: CCOC(=O)C1CCC(=O)C(C1)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: IGOWSOGBQMBHIY-UHFFFAOYSA-N
مرادفات
39086-05-0Ethyl 3-bromo-4-oxocyclohexane-1-carboxylateDTXSID50512926RefChem:343350DTXCID60463733875-480-5Cyclohexanecarboxylic acid, 3-bromo-4-oxo-, ethyl esterETHYL 3-BROMO-4-OXOCYCLOHEXANECARBOXYLATEMFCD11975647ethyl 3-bromo-4-oxo-cyclohexanecarboxylateSCHEMBL4079163-bromo-4-ketocyclohexanecarboxylic acid ethyl esterIGOWSOGBQMBHIY-UHFFFAOYSA-NAKOS026730555PB42712PS-16400DB-342740CS-0049491ETHYL3-BROMO-4-OXOCYCLOHEXANECARBOXYLATEP18299EN300-1724118F5153653-Bromo-4-oxo-cyclohexanecarboxylic acid ethyl ester3-bromo-4-oxo-cyclohexane carboxylic acid ethyl esterF8881-7878
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