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Chemical ID: 6943297
Chemical ID:
6943297
Name [?]:
2-bromo-N-(3-chloro-4-fluoro-phenyl)-5-nitro-benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)c2cc(ccc2Br)[N+](=O)[O-])Cl)F
InChi [?]:
InChI=1/C13H7BrClFN2O3/c14-10-3-2-8(18(20)21)6-9(10)13(19)17-7-1-4-12(16)11(15)5-7/h1-6H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,13,14,2,5,11,6,12,10,15,4,3,8,16,20,21,7,17,9,18,19/E:(20,21)/CRV:18.5/rA:21nCCCCCCNCOCCCCCCBrN+OO-ClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;d17;s17;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7BrClFN2O3 |
All Atoms: | 28 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.17282 |
Area: | 487.834 |
Solvation: | -9.02302 |
Coulombic: | -34.47 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 373.561 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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