Chemical ID: 7189340

Cc1c(cnn1C(C)C(=O)[O-])Cl
Chemical ID:
7189340
Name [?]:
2-(4-chloro-5-methyl-pyrazol-1-yl)propanoate
SMILES [?]:
Cc1c(cnn1C(C)C(=O)[O-])Cl
InChi [?]:
InChI=1/C7H9ClN2O2/c1-4-6(8)3-9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,8,4,2,7,3,9,12,5,6,10,11/E:(11,12)/rA:12cCCCCNNCCCOO-Cl/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8ClN2O2-
All Atoms:20
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:-36.8452
Area:344.414
Solvation:-45.4556
Coulombic:-0.085543
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:187.603
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.8
LogP (Chemaxon):0.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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