Chemical ID: 3964931

c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2
Chemical ID:
3964931
Name [?]:
4,5,6,7-tetrabromo-3H-benzotriazole
SMILES [?]:
c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2
InChi [?]:
InChI=1/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:4,5,3,6,2,1,9,8,10,7,11,13,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:13nCCCCCCBrBrBrBrNNN/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s2;d11;s1s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6HBr4N3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.60721
Area:361.167
Solvation:-1.42198
Coulombic:-7.62691
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:434.708
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.33
LogP (Chemaxon):4.7

Name Annotations

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Descriptor Annotations

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