Chemical ID: 4700931

Cn1c(c(c(n1)c2ccccc2)C=O)Cl
Chemical ID:
4700931
Name [?]:
5-chloro-1-methyl-3-phenyl-pyrazole-4-carbaldehyde
SMILES [?]:
Cn1c(c(c(n1)c2ccccc2)C=O)Cl
InChi [?]:
InChI=1/C11H9ClN2O/c1-14-11(12)9(7-15)10(13-14)8-5-3-2-4-6-8/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,12,13,7,4,5,3,15,6,2,14/E:(3,4)(5,6)/rA:15nCNCCCNCCCCCCCOCl/rB:s1;s2;d3;s4;s2d5;s5;s7;d8;s9;d10;d7s11;s4;d13;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9ClN2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.86284
Area:384.418
Solvation:-2.74762
Coulombic:-13.307
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:220.655
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.7
LogP (Chemaxon):2.21

Name Annotations

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Descriptor Annotations

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