Chemical ID: 5871821

c1cc(cc(c1)Br)CC#N
Chemical ID:
5871821
Name [?]:
2-(3-bromophenyl)acetonitrile
SMILES [?]:
c1cc(cc(c1)Br)CC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H6BrN
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.54894
Area:317.255
Solvation:-1.38244
Coulombic:-3.72043
Bond Count [?]
All:10
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:196.044
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.36
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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