Chemical ID: 6717977

c1cc(c2c[nH+]ccc2c1Br)Br
Chemical ID:
6717977
Name [?]:
5,8-dibromo-2H-isoquinoline
SMILES [?]:
c1cc(c2c[nH+]ccc2c1Br)Br
InChi [?]:
InChI=1/C9H5Br2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,8,7,5,9,4,10,3,11,12,6/rA:12nCCCCCN+CCCCBrBr/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6Br2N+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-26.0527
Area:330.784
Solvation:-34.3223
Coulombic:9.80529
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:287.959
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.63
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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