Chemical ID: 6624248

c1c2c(cc(c1Br)Br)OCC(=O)N2
Chemical ID:
6624248
Name [?]:
8,9-dibromo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-3-one
SMILES [?]:
c1c2c(cc(c1Br)Br)OCC(=O)N2
InChi [?]:
InChI=1/C8H5Br2NO2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,10,6,5,2,3,11,7,8,13,12,9/rA:13nCCCCCCBrBrOCCON/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s9;s10;d11;s2s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5Br2NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.38307
Area:347.142
Solvation:-2.29548
Coulombic:-28.5735
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:306.939
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.25
LogP (Chemaxon):2.41

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