Nom: cis-methyl (1R,2S)-2-(4-bromobenzoyl)cyclohexane-1-carboxylate
SMILES:
COC(=O)C1CCCCC1C(=O)C2=CC=C(C=C2)BrMolecular Processing
Molecular formula
C15H17BrO3
Molecular weight
325.2
Exact mass
324.0361
XLogP
3.61
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
75.94
Supplementary Information
InChIKey: KHZQKOVXYSHWQQ-QWHCGFSZSA-N
Synonymes
SCHEMBL1748036KHZQKOVXYSHWQQ-QWHCGFSZSA-Nmethyl cis-2-(4-bromobenzoyl)cyclohexane-carboxylateMethyl cis-2-(4-bromobenzoyl)cyclohexanecarboxylate
Impliqué dans 8 réactions→