Chemical ID: 6436901

Cc1nc(no1)c2ccc(cc2)Br
Chemical ID:
6436901
Name [?]:
3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole
SMILES [?]:
Cc1nc(no1)c2ccc(cc2)Br
InChi [?]:
InChI=1/C9H7BrN2O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,12,9,11,2,7,10,4,13,3,5,6/E:(2,3)(4,5)/rA:13nCCNCNOCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7BrN2O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.69708
Area:356.674
Solvation:-1.21976
Coulombic:-12.4544
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:239.069
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.19
LogP (Chemaxon):2.86

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