Chemical ID: 5671773

c1ccc2c(c1)c(n[nH]2)C(=O)OCc3c(cccc3Cl)F
Chemical ID:
5671773
Name [?]:
(2-chloro-6-fluoro-phenyl)methyl 1H-indazole-3-carboxylate
SMILES [?]:
c1ccc2c(c1)c(n[nH]2)C(=O)OCc3c(cccc3Cl)F
InChi [?]:
InChI=1/C15H10ClFN2O2/c16-11-5-3-6-12(17)10(11)8-21-15(20)14-9-4-1-2-7-13(9)18-19-14/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,6,18,16,3,13,5,14,19,15,4,7,10,20,21,9,8,11,12/rA:21nCCCCCCCNNCOOCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClFN2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.99606
Area:481.108
Solvation:-3.03164
Coulombic:-36.2177
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.703
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.5
LogP (Chemaxon):4.15

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