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Chemical ID: 6326630
Chemical ID:
6326630
Name [?]:
4-bromo-N-(2-methoxy-4-nitro-phenyl)-benzamide
SMILES [?]:
COc1cc(ccc1NC(=O)c2ccc(cc2)Br)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H11BrN2O4/c1-21-13-8-11(17(19)20)6-7-12(13)16-14(18)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,13,17,14,16,6,7,4,12,15,5,8,3,10,18,9,19,11,20,21,2/E:(2,3)(4,5)(19,20)/CRV:17.5/rA:21nCOCCCCCCNCOCCCCCCBrN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s5;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11BrN2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.24014 |
Area: | 491.108 |
Solvation: | -8.03757 |
Coulombic: | -40.3412 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.152 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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