Chemical ID: 6493298

Cc1cc(cc(c1[NH3+])Br)Br
Chemical ID:
6493298
Name [?]:
(2,4-dibromo-6-methyl-phenyl)ammonium
SMILES [?]:
Cc1cc(cc(c1[NH3+])Br)Br
InChi [?]:
InChI=1/C7H7Br2N/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,5,2,4,6,7,10,9,8/rA:10nCCCCCCCN+BrBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8Br2N+
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-31.139
Area:314.081
Solvation:-38.991
Coulombic:44.3223
Bond Count [?]
All:10
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:265.953
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.03
LogP (Chemaxon):3.31

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Experimental Annotations

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Descriptor Annotations

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