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Chemical ID: 6669515
Chemical ID:
6669515
Name [?]:
(2-bromo-4,5-dimethyl-phenyl) (2,4-difluorophenyl)aminoformate
SMILES [?]:
Cc1cc(c(cc1C)Br)OC(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C15H12BrF2NO2/c1-8-5-11(16)14(6-9(8)2)21-15(20)19-13-4-3-10(17)7-12(13)18/h3-7H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:8,1,16,15,6,3,18,7,2,17,5,19,14,4,11,9,21,20,13,12,10/rA:21nCCCCCCCCBrOCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12BrF2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23598 |
Area: | 472.114 |
Solvation: | -2.56688 |
Coulombic: | -41.5428 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 356.162 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.01 |
LogP (Chemaxon): | 5.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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