C=CCOC(=O)CCCCl
CAS: 4897-91-0
名称: prop-2-enyl 4-chlorobutanoate
SMILES: C=CCOC(=O)CCCCl

Molecular Processing

Molecular formula
C7H11ClO2
Molecular weight
162.62
Exact mass
162.0448
XLogP
1.73
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
0.571
Molar refractivity
41.11

Supplementary Information

InChIKey: NSCJTNOFIYBWFN-UHFFFAOYSA-N
同義語
Butanoic acid, 4-chloro, 2-propenyl esterAllyl 4-chlorobutyrateAllyl 4-chlorobutanoate4897-91-0SCHEMBL6995381AKOS005287853
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