Chemical ID: 6421584

c1ccc2c(c1)c(cnc2Br)Br
Chemical ID:
6421584
Name [?]:
1,4-dibromoisoquinoline
SMILES [?]:
c1ccc2c(c1)c(cnc2Br)Br
InChi [?]:
InChI=1/C9H5Br2N/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,5,4,7,10,12,11,9/rA:12nCCCCCCCCNCBrBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5Br2N
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.50301
Area:331.104
Solvation:-0.774576
Coulombic:-7.22918
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

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Experimental Annotations

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Descriptor Annotations

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