Chemical ID: 6734959

c1cc(ccc1N2CC(CC2=O)C(=O)[O-])Br
Chemical ID:
6734959
Name [?]:
1-(4-bromophenyl)-5-oxo-pyrrolidine-3-carboxylate
SMILES [?]:
c1cc(ccc1N2CC(CC2=O)C(=O)[O-])Br
InChi [?]:
InChI=1/C11H10BrNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:2,4,1,5,10,8,9,3,6,11,13,16,7,12,14,15/E:(1,2)(3,4)(15,16)/rA:16cCCCCCCNCCCCOCOO-Br/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7s10;d11;s9;d13;s13;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9BrNO3-
All Atoms:25
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:-30.5218
Area:400.255
Solvation:-40.5281
Coulombic:-17.9646
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:283.098
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.77
LogP (Chemaxon):1.55

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