Chemical ID: 7511110

CCOC(=O)c1c(cn[nH]1)I
Chemical ID:
7511110
Name [?]:
ethyl 4-iodo-2H-pyrazole-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(cn[nH]1)I
InChi [?]:
InChI=1/C6H7IN2O2/c1-2-11-6(10)5-4(7)3-8-9-5/h3H,2H2,1H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,6,4,11,9,10,5,3/rA:11nCCOCOCCCNNI/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7IN2O2
All Atoms:18
Heavy Atoms:11
Chiral Atoms:None
ZAP Information [?]
Total:6.70343
Area:342.513
Solvation:-1.85941
Coulombic:-28.9736
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.15
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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