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Chemical ID: 6377397
Chemical ID:
6377397
Name [?]:
N-(2,4-dibromophenyl)-3-nitro-benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C13H8Br2N2O3/c14-9-4-5-12(11(15)7-9)16-13(18)8-2-1-3-10(6-8)17(19)20/h1-7H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,4,17,3,16,5,18,13,10,20,19,12,7,11,8,9/E:(19,20)/CRV:17.5/rA:20nCCCCCCN+OO-CONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Br2N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.98124 |
Area: | 484.373 |
Solvation: | -7.12807 |
Coulombic: | -33.451 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 400.022 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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