CAS: 29823-18-5
Название: ethyl 7-bromoheptanoate
SMILES:
CCOC(=O)CCCCCCBrMolecular Processing
Molecular formula
C9H17BrO2
Molecular weight
237.14
Exact mass
236.0412
XLogP
2.89
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
12
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
0.889
Molar refractivity
53.51
Supplementary Information
InChIKey: OOBFNDGMAGSNKA-UHFFFAOYSA-N
Синонимы
Ethyl 7-bromoheptanoate7-Bromoheptanoic Acid Ethyl EsterHeptanoic acid, 7-bromo-, ethyl esterM5QR4GAP1SEINECS 249-883-6UNII-M5QR4GAP1SAI3-36604OOBFNDGMAGSNKA-UHFFFAOYSA-DTXSID80183961EC 249-883-6TIANEPTINE SODIUM IMPURITY A [EP IMPURITY]TIANEPTINE SODIUM IMPURITY A (EP IMPURITY)RefChem:138851DTXCID20106452249-883-6InChI=1/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H329823-18-5MFCD00037103ETHYL-7-BROMOHEPTANOATETianeptine EP Impurity A7-bromo-heptanoic acid ethyl esterBr(CH2)6COOEtethyl 7-bromo-heptanoateTianeptine impurity A CRSSCHEMBL318062Ethyl 7-bromoheptanoate, 97%orb2940325Tianeptine Sodium EP Impurity ASTR06903TYD-00253
Участвует в 132 реакциях→