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Chemical ID: 6421634
Chemical ID:
6421634
Name [?]:
2-(dibromomethyl)quinoline
SMILES [?]:
c1ccc2c(c1)ccc(n2)C(Br)Br
InChi [?]:
InChI=1/C10H7Br2N/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-6,10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,5,4,9,11,12,13,10/E:(11,12)/rA:13nCCCCCCCCCNCBrBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7Br2N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63551 |
Area: | 355.27 |
Solvation: | -1.24625 |
Coulombic: | -7.47448 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 300.977 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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