CAS: 6280-87-1
名称: 5-chloropentanenitrile
SMILES:
C(CCCl)CC#NMolecular Processing
Molecular formula
C5H8ClN
Molecular weight
117.58
Exact mass
117.0345
XLogP
1.92
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
7
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
0.8
Molar refractivity
30.18
Supplementary Information
InChIKey: JSAWFGSXRPCFSW-UHFFFAOYSA-N
同義語
5-Chlorovaleronitrile5-ChloropentanenitrileValeronitrile, 5-chloro-5-Chloro-n-valeronitrile.delta.-ChlorovaleronitrileEINECS 228-481-4AI3-20151JSAWFGSXRPCFSW-UHFFFAOYSA-DTXSID20211898NSC 6156delta-ChlorovaleronitrileRefChem:102412DTXCID50134389228-481-4InChI=1/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2JSAWFGSXRPCFSW-UHFFFAOYSA-N6280-87-1Pentanenitrile, 5-chloro-MFCD000019774-Chlorobutyl CyanideNSC61561-Chloro-4-cyanobutane; 4-Chloro-1-cyanobutane; 5-Chloropentanenitrile; NSC 6156; d-Chlorovaleronitrile5-Chlorovaleronitrile, 98%SCHEMBL851045orb1306652SCHEMBL9511734NSC-6156SBB061418AKOS000121428CS-W022361
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