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Chemical ID: 4256120
Chemical ID:
4256120
Name [?]:
3-bromo-7-(bromomethyl)-1,7-dimethyl-norbornan-2-one
SMILES [?]:
CC12CCC(C1(C)CBr)C(C2=O)Br
InChi [?]:
InChI=1/C10H14Br2O/c1-9-4-3-6(7(12)8(9)13)10(9,2)5-11/h6-7H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,4,3,8,5,10,11,2,6,9,13,12/rA:13cCCCCCCCCBrCCOBr/rB:s1;s2;s3;s4;s2s5;s6;s6;s8;s5;s2s10;d11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14Br2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.01394 |
Area: | 351.215 |
Solvation: | -1.76642 |
Coulombic: | -8.47238 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 310.026 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.79 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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