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Chemical ID: 6141149
Chemical ID:
6141149
Name [?]:
2-bromo-N-(3,4-dichlorophenyl)-4,7,7-trimethyl-3-oxo-norbornane-1-carboxamide
SMILES [?]:
CC1(C2(CCC1(C(C2=O)Br)C(=O)Nc3ccc(c(c3)Cl)Cl)C)C
InChi [?]:
InChI=1/C17H18BrCl2NO2/c1-15(2)16(3)6-7-17(15,12(18)13(16)22)14(23)21-9-4-5-10(19)11(20)8-9/h4-5,8,12H,6-7H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,15,16,4,5,19,14,17,18,7,8,11,2,3,6,10,21,20,13,9,12/E:(1,2)/rA:23cCCCCCCCCOBrCONCCCCCCClClCC/rB:s1;s2;s3;s4;s2s5;s6;s3s7;d8;s7;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18BrCl2NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.423 |
Area: | 527.404 |
Solvation: | -2.76215 |
Coulombic: | -29.0482 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 419.14 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.09 |
LogP (Chemaxon): | 5.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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