CCOC(=O)C1=C(C(CCC1)Br)O
CAS: 145222-30-6
Name: ethyl 3-bromo-2-hydroxycyclohexene-1-carboxylate
SMILES: CCOC(=O)C1=C(C(CCC1)Br)O

Molecular Processing

Molecular formula
C9H13BrO3
Molecular weight
249.1
Exact mass
248.0048
XLogP
2.31
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
52.85

Supplementary Information

InChIKey: JISIWQJYFOLJJD-UHFFFAOYSA-N
Synonyms
SCHEMBL416292JISIWQJYFOLJJD-UHFFFAOYSA-N3-Bromo-2-hydroxy-cyclohex-1-enecarboxylic acid ethyl ester3-Bromo-2-hydroxy-cyclohex-1-enecarboxylicacid ethylester3-bromo-2-hydroxycyclohex-1-enecarboxylic acid ethyl ester145222-30-6
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Involved in 22 reactions→

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