Chemical ID: 4914613

COC1CC(C1)(C#N)Br
Chemical ID:
4914613
Name [?]:
1-bromo-3-methoxy-cyclobutane-1-carbonitrile
SMILES [?]:
COC1CC(C1)(C#N)Br
InChi [?]:
InChI=1/C6H8BrNO/c1-9-5-2-6(7,3-5)4-8/h5H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,6,7,3,5,9,8,2/E:(2,3)/rA:9nCOCCCCCNBr/rB:s1;s2;s3;s4;s3s5;s5;t7;s5;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8BrNO
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:5.31279
Area:303.957
Solvation:-2.28614
Coulombic:-10.5059
Bond Count [?]
All:9
Single:8
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:190.038
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.61
LogP (Chemaxon):0.71

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