Chemical ID: 7469125

c1ccc2c(c1)ccc(c2C=O)OC(=O)COc3ccc(cc3Cl)Br
Chemical ID:
7469125
Name [?]:
(1-formyl-2-naphthyl) 2-(4-bromo-2-chloro-phenoxy)acetate
SMILES [?]:
c1ccc2c(c1)ccc(c2C=O)OC(=O)COc3ccc(cc3Cl)Br
InChi [?]:
InChI=1/C19H12BrClO4/c20-13-6-8-18(16(21)9-13)24-11-19(23)25-17-7-5-12-3-1-2-4-14(12)15(17)10-22/h1-10H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,20,8,19,22,11,16,5,21,4,10,23,9,18,14,25,24,12,15,17,13/rA:25nCCCCCCCCCCCOOCOCOCCCCCCClBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12BrClO4
All Atoms:37
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.38641
Area:569.337
Solvation:-4.84702
Coulombic:-34.9624
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:419.653
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.32
LogP (Chemaxon):5.04

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