Chemical ID: 6325882

c1cc(ccc1c2c(c[nH]n2)C=O)Br
Chemical ID:
6325882
Name [?]:
3-(4-bromophenyl)-1H-pyrazole-4-carbaldehyde
SMILES [?]:
c1cc(ccc1c2c(c[nH]n2)C=O)Br
InChi [?]:
InChI=1/C10H7BrN2O/c11-9-3-1-7(2-4-9)10-8(6-14)5-12-13-10/h1-6H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,9,12,6,8,3,7,14,10,11,13/E:(1,2)(3,4)/rA:14nCCCCCCCCCNNCOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s8;d12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7BrN2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.5388
Area:369.554
Solvation:-2.70006
Coulombic:-17.0704
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.079
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.06
LogP (Chemaxon):2.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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