COC(=O)CC12CC3CC(C1)CC(C3)(C2)Br
Nombre: methyl 2-(3-bromo-1-adamantyl)acetate
SMILES: COC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

Molecular Processing

Molecular formula
C13H19BrO2
Molecular weight
287.2
Exact mass
286.0568
XLogP
3.28
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
65.41

Supplementary Information

InChIKey: FFYYJJRMGKTOQM-UHFFFAOYSA-N
Sinónimos
Methyl 3-bromo-1-adamantaneacetateMethyl 3-bromoadamantaneacetateSCHEMBL8073717Methyl (3-bromo-1-adamantyl)acetate #2-(-3-bromo-1-adamantyl) acetic acid methyl esterTricyclo[3.3.1.1(3,7)-]decane-1-carboxylic acid, 3-bromo-5-methyl-, methyl ester
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