Chemical ID: 5760710

Cn1c(c(cn1)Br)C(=O)OC
Chemical ID:
5760710
Name [?]:
methyl 4-bromo-2-methyl-pyrazole-3-carboxylate
SMILES [?]:
Cn1c(c(cn1)Br)C(=O)OC
InChi [?]:
InChI=1/C6H7BrN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,5,4,3,8,7,6,2,9,10/rA:11nCNCCCNBrCOOC/rB:s1;s2;d3;s4;s2d5;s4;s3;d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7BrN2O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.85874
Area:315.477
Solvation:-2.02819
Coulombic:-23.947
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:219.036
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.26
LogP (Chemaxon):0.42

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Descriptor Annotations

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