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Chemical ID: 6177386
Chemical ID:
6177386
Name [?]:
4-bromo-N-(3-bromophenyl)-2-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)c2ccc(cc2F)Br
InChi [?]:
InChI=1/C13H8Br2FNO/c14-8-2-1-3-10(6-8)17-13(18)11-5-4-9(15)7-12(11)16/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,2,13,12,4,15,5,14,3,11,16,9,7,18,17,8,10/rA:18nCCCCCCBrNCOCCCCCCFBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Br2FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.88082 |
Area: | 442.727 |
Solvation: | -3.18736 |
Coulombic: | -24.9804 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 373.015 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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