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Chemical ID: 6463039
Chemical ID:
6463039
Name [?]:
N-benzyl-2,4-dibromo-benzamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccc(cc2Br)Br
InChi [?]:
InChI=1/C14H11Br2NO/c15-11-6-7-12(13(16)8-11)14(18)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,12,15,7,4,14,11,16,9,18,17,8,10/E:(2,3)(4,5)/rA:18nCCCCCCCNCOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Br2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66998 |
Area: | 460.018 |
Solvation: | -1.83048 |
Coulombic: | -24.1449 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 369.051 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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