Chemical ID: 7196270

c1cc(c(cc1OCn2ccc(n2)C(=O)[O-])Cl)F
Chemical ID:
7196270
Name [?]:
1-[(3-chloro-4-fluoro-phenoxy)methyl]pyrazole-3-carboxylate
SMILES [?]:
c1cc(c(cc1OCn2ccc(n2)C(=O)[O-])Cl)F
InChi [?]:
InChI=1/C11H8ClFN2O3/c12-8-5-7(1-2-9(8)13)18-6-15-4-3-10(14-15)11(16)17/h1-5H,6H2,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,11,10,5,8,6,4,3,12,14,17,18,13,9,15,16,7/E:(16,17)/rA:18nCCCCCCOCNCCCNCOO-ClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;s9d12;s12;d14;s14;s4;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7ClFN2O3-
All Atoms:25
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-34.3659
Area:443.502
Solvation:-45.4535
Coulombic:-17.832
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:269.636
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.3
LogP (Chemaxon):2.88

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