Chemical ID: 6669515

Cc1cc(c(cc1C)Br)OC(=O)Nc2ccc(cc2F)F
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

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