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Chemical ID: 3964931
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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Experimental Annotations
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Descriptor Annotations
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