Chemical ID: 7051679

Cc1ccc2c(c1)C(=O)C(=O)N2CCCBr
Chemical ID:
7051679
Name [?]:
1-(3-bromopropyl)-5-methyl-indoline-2,3-dione
SMILES [?]:
Cc1ccc2c(c1)C(=O)C(=O)N2CCCBr
InChi [?]:
InChI=1/C12H12BrNO2/c1-8-3-4-10-9(7-8)11(15)12(16)14(10)6-2-5-13/h3-4,7H,2,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,3,4,15,13,7,2,6,5,8,10,16,12,9,11/rA:16nCCCCCCCCOCONCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s10;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12BrNO2
All Atoms:28
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.10647
Area:418.089
Solvation:-2.34575
Coulombic:-27.7649
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.133
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.62
LogP (Chemaxon):2.17

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