Chemical ID: 4731522

Cc1c(c(n(n1)Cc2cccc(c2)C(=O)OC)C)Br
Chemical ID:
4731522
Name [?]:
methyl 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate
SMILES [?]:
Cc1c(c(n(n1)Cc2cccc(c2)C(=O)OC)C)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H15BrN2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.25205
Area:472.436
Solvation:-2.55886
Coulombic:-24.6415
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.185
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.34
LogP (Chemaxon):2.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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