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Chemical ID: 4730761
Chemical ID:
4730761
Name [?]:
6-bromo-7-(bromomethyl)-1,7-dimethyl-norbornan-2-one
SMILES [?]:
CC1(C2CC(C1(C(=O)C2)C)Br)CBr
InChi [?]:
InChI=1/C10H14Br2O/c1-9(5-11)6-3-7(12)10(9,2)8(13)4-6/h6-7H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,9,12,3,5,7,2,6,13,11,8/rA:13cCCCCCCCOCCBrCBr/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;s6;s5;s2;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14Br2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.67441 |
Area: | 348.886 |
Solvation: | -2.04775 |
Coulombic: | -7.73774 |
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): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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