CAS: 14273-90-6
Название: methyl 6-bromohexanoate
SMILES:
COC(=O)CCCCCBrMolecular Processing
Molecular formula
C7H13BrO2
Molecular weight
209.08
Exact mass
208.0099
XLogP
2.11
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
10
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
0.857
Molar refractivity
44.28
Supplementary Information
InChIKey: KYLVAMSNNZMHSX-UHFFFAOYSA-N
Синонимы
Methyl 6-bromohexanoate14273-90-6DTXSID60400224RefChem:157718DTXCID60351080604-307-66-bromohexanoic acid methyl esterMFCD001875286-bromo-hexanoic acid methyl esterMethyl6-BromohexanoateHexanoic acid, 6-bromo-, methyl estermethyl 6-bromocaproatemethyl 6-bromo-hexanoateSCHEMBL26285METHYL-6-BROMOHEXANOATE6-bromo-hexanoic acid-methyl ester6-Bromo-henxanoic acid methyl esterAC7709AKOS015915260CS-W015176FB55276AS-17534SY018348DB-042643EN300-79010F240729
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