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Chemical ID: 6667525
Chemical ID:
6667525
Name [?]:
2-bromo-N-(2,6-dibromo-4-fluoro-phenyl)-acetamide
SMILES [?]:
c1c(cc(c(c1Br)NC(=O)CBr)Br)F
InChi [?]:
InChI=1/C8H5Br3FNO/c9-3-7(14)13-8-5(10)1-4(12)2-6(8)11/h1-2H,3H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,11,2,6,4,9,5,12,7,13,14,8,10/E:(1,2)(5,6)(10,11)/rA:14nCCCCCCBrNCOCBrBrF/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;d9;s9;s11;s4;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H5Br3FNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.3936 |
Area: | 381.651 |
Solvation: | -3.14767 |
Coulombic: | -22.2719 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 389.842 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.61 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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