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Chemical ID: 4951860
Chemical ID:
4951860
Name [?]:
1,2,3,4,5,6-hexabromocyclohexane
SMILES [?]:
C1(C(C(C(C(C1Br)Br)Br)Br)Br)Br
InChi [?]:
InChI=1/C6H6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,12,11,7,10,8,9/E:(1,2,3,4,5,6)(7,8,9,10,11,12)/rA:12nCCCCCCBrBrBrBrBrBr/rB:s1;s2;s3;s4;s1s5;s6;s5;s4;s3;s2;s1;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6Br6 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.4763 |
Area: | 368.336 |
Solvation: | -1.73211 |
Coulombic: | -0.133755 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 557.536 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.86 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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