Chemical ID: 4777369

CC1CC(=O)N(C(=O)C1)c2ccc(cc2)Br
Chemical ID:
4777369
Name [?]:
1-(4-bromophenyl)-4-methyl-piperidine-2,6-dione
SMILES [?]:
CC1CC(=O)N(C(=O)C1)c2ccc(cc2)Br
InChi [?]:
InChI=1/C12H12BrNO2/c1-8-6-11(15)14(12(16)7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,14,11,15,3,9,2,13,10,4,7,16,6,5,8/E:(2,3)(4,5)(6,7)(11,12)(15,16)/rA:16nCCCCONCOCCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;d7;s2s7;s6;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12BrNO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.18692
Area:399.143
Solvation:-2.79167
Coulombic:-23.5193
Bond Count [?]
All:17
Single:12
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:282.133
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.4
LogP (Chemaxon):2.37

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