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Chemical ID: 7305720
Chemical ID:
7305720
Name [?]:
2-bromo-5-methoxy-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1Br)OC
InChi [?]:
InChI=1/C12H16BrNO2/c1-4-8(2)14-12(15)10-7-9(16-3)5-6-11(10)13/h5-8H,4H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,16,2,11,12,9,3,10,8,13,6,14,5,7,15/rA:16cCCCCNCOCCCCCCBrOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s10;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16BrNO2 |
All Atoms: | 32 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.76994 |
Area: | 423.641 |
Solvation: | -2.82109 |
Coulombic: | -29.217 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.165 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.38 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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