CCCC1=C(C=CC(=C1Cl)Cl)OCCCC#N
名称: 4-(3,4-dichloro-2-propylphenoxy)butanenitrile
SMILES: CCCC1=C(C=CC(=C1Cl)Cl)OCCCC#N

Molecular Processing

Molecular formula
C13H15Cl2NO
Molecular weight
272.17
Exact mass
271.0531
XLogP
4.63
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
70.8

Supplementary Information

InChIKey: RXOFFMFUOONPJA-UHFFFAOYSA-N
同義語
SCHEMBL10633514RXOFFMFUOONPJA-UHFFFAOYSA-N4-(2-propyl-3,4-dichlorophenoxy)butane nitrile
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