Chemical ID: 6683613

C(CN=C=O)CCl
Chemical ID:
6683613
Name [?]:
1-chloro-3-isocyanato-propane
SMILES [?]:
C(CN=C=O)CCl
InChi [?]:
InChI=1/C4H6ClNO/c5-2-1-3-6-4-7/h1-3H2
InChi Info:
AuxInfo=1/0/N:1,6,2,4,7,3,5/rA:7nCCNCOCCl/rB:s1;s2;d3;d4;s1;s6;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C4H6ClNO
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:5.7137
Area:288.333
Solvation:-1.49463
Coulombic:-11.6691
Bond Count [?]
All:6
Single:4
Double:2
Rotors:3
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:119.549
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.61
LogP (Chemaxon):0.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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