CAS: 111-64-8
Название: octanoyl chloride
SMILES:
CCCCCCCC(=O)ClMolecular Processing
Molecular formula
C8H15ClO
Molecular weight
162.66
Exact mass
162.0811
XLogP
3.11
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
44.24
Supplementary Information
InChIKey: REEZZSHJLXOIHL-UHFFFAOYSA-N
Синонимы
Octanoyl chloride111-64-8Capryloyl chlorideCAPRYLYL CHLORIDEn-Octanoyl chlorideCaprylic acid chlorideOctanoic acid chlorideOctanoic chlorideMFCD00000766DTXSID9024724BK8FUS6OVToctanoylchlorideCCRIS 5990EINECS 203-891-6BRN 0635917caprylic chlorideoctanoyl- chlorideUNII-BK8FUS6OVTC7H15COClOctanoyl chloride, 99%EC 203-891-6SCHEMBL69357heptylcarboxylic acid chloride4-02-00-00992 (Beilstein Handbook Reference)DTXCID0047241-OCTANOIC ACID CHLORIDECHEMBL1504663Tox21_202251SBB060013AKOS005721174
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