Chemical ID: 6421585

c1ccc2c(c1)cnc(c2Br)Br
Chemical ID:
6421585
Name [?]:
3,4-dibromoisoquinoline
SMILES [?]:
c1ccc2c(c1)cnc(c2Br)Br
InChi [?]:
InChI=1/C9H5Br2N/c10-8-7-4-2-1-3-6(7)5-12-9(8)11/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,5,4,10,9,11,12,8/rA:12nCCCCCCCNCCBrBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5Br2N
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.40541
Area:329.24
Solvation:-0.825589
Coulombic:-7.14679
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:286.951
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.72
LogP (Chemaxon):3.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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