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Chemical ID: 6966618
Chemical ID:
6966618
Name [?]:
3-bromo-N,N-diethyl-4-methoxy-benzamide
SMILES [?]:
CCN(CC)C(=O)c1ccc(c(c1)Br)OC
InChi [?]:
InChI=1/C12H16BrNO2/c1-4-14(5-2)12(15)9-6-7-11(16-3)10(13)8-9/h6-8H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,16,2,4,9,10,13,8,12,11,6,14,3,7,15/E:(1,2)(4,5)/rA:16nCCNCCCOCCCCCCBrOC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s12;s11;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16BrNO2 |
All Atoms: | 32 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48242 |
Area: | 418.187 |
Solvation: | -2.97225 |
Coulombic: | -24.8807 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.165 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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