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Chemical ID: 6375980
Chemical ID:
6375980
Name [?]:
3-chloro-N-(2,4-dibromophenyl)-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C13H8Br2ClNO/c14-9-4-5-12(11(15)7-9)17-13(18)8-2-1-3-10(16)6-8/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,4,15,3,14,5,16,11,8,18,17,7,10,9/rA:18nCCCCCCClCONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Br2ClNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2992 |
Area: | 469.273 |
Solvation: | -1.43263 |
Coulombic: | -23.7303 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 389.469 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.21 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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