CC(C)(C)OC(=O)CCCCCCBr
CAS: 51100-47-1
Название: tert-butyl 7-bromoheptanoate
SMILES: CC(C)(C)OC(=O)CCCCCCBr

Molecular Processing

Molecular formula
C11H21BrO2
Molecular weight
265.19
Exact mass
264.0725
XLogP
3.67
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
62.72

Supplementary Information

InChIKey: XZMQZUGTGFBLIP-UHFFFAOYSA-N
Синонимы
tert-Butyl 7-bromoheptanoate51100-47-1DTXSID20548499RefChem:383720DTXCID50499283888-024-57-Bromo-heptanoic acid tert-butyl esterMFCD27924668Heptanoic acid, 7-bromo-, 1,1-dimethylethyl estertert-Butyl7-bromoheptanoateorb3136914SCHEMBL10970793XZMQZUGTGFBLIP-UHFFFAOYSA-N7-bromoheptanoic acid t-butyl esterBCA10047AKOS037649231BS-17438SY391105DB-110529CS-0136661D80353EN300-8963802F618948T212533
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