Chemical ID: 4135527

c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)Br)C=O
Chemical ID:
4135527
Name [?]:
1-(4-bromophenyl)-3-phenyl-pyrazole-4-carbaldehyde
SMILES [?]:
c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)Br)C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H11BrN2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.05011
Area:474.764
Solvation:-2.81898
Coulombic:-13.695
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.175
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.43
LogP (Chemaxon):4.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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