Chemical ID: 5110105

c1c(c2c([nH]1)ncnc2Cl)Br
Chemical ID:
5110105
Name [?]:
9-bromo-2-chloro-3,5,7-triazabicyclo[4.3.0]nona-1,3,5,8-tetraene
SMILES [?]:
c1c(c2c([nH]1)ncnc2Cl)Br
InChi [?]:
InChI=1/C6H3BrClN3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,7,2,3,9,4,11,10,5,8,6/rA:11nCCCCNNCNCClBr/rB:d1;s2;s3;s1s4;d4;s6;d7;d3s8;s9;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H3BrClN3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.67097
Area:311.485
Solvation:-1.11617
Coulombic:-22.2097
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:232.465
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.04
LogP (Chemaxon):2.43

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