Chemical ID: 6710421

Cc1c(c(n(n1)Cc2cccc(c2)C(=O)[O-])C)Br
Chemical ID:
6710421
Name [?]:
3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate
SMILES [?]:
Cc1c(c(n(n1)Cc2cccc(c2)C(=O)[O-])C)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H12BrN2O2-
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-33.7183
Area:444.685
Solvation:-44.8354
Coulombic:-3.89911
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:308.151
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.54
LogP (Chemaxon):2.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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