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Home CSMB00009813836

Structure Info

Chemspace ID
CSMB00009813836 (Enamine MADE)
CAS
95111-49-2
MFCD
MFCD00067043
IUPAC Name
2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one
Mol formula
C7H3Br4NO3
Mol weight
469 Da
Catalog Number(s)
101052, 180579, 5178AL, 95111-49-2, A490026664, AA003FBP, AB59729, ACM95111492, AG003FEH, AJ59729, AR003G3H, ArZ-UP083478, BBV-45063747, BD00780533, BS-22783, CS-0207070, CSC009813836, D566532, EN300-7411622, F636183, FCH1679273, FT61011, HY-W150592, K05055, LN01746613, LP041244, ND190756, OR90709, P992173, SAB-087762, SY103665, T1431, T73096, X199049, Y1050700, ZX-AE023179
SMILES
INCHI
INCHI key
MOL

Properties

LogP
3.15
Heavy atoms count
15
Rotatable bond count
1
Number of rings
1
Carbon bond saturation, Fsp3
0.285
Polar surface area (Å)
60
Hydrogen bond acceptors count
3
Hydrogen bond donors count
0

SDS

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C7H3Br4NO3
Zoom the structure
CSMB00009813836
 

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