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Chemical ID: 7051715
Chemical ID:
7051715
Name [?]:
1-(3-bromopropyl)-7-methyl-indoline-2,3-dione
SMILES [?]:
Cc1cccc2c1N(C(=O)C2=O)CCCBr
InChi [?]:
InChI=1/C12H12BrNO2/c1-8-4-2-5-9-10(8)14(7-3-6-13)12(16)11(9)15/h2,4-5H,3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,14,3,5,15,13,2,6,7,11,9,16,8,12,10/rA:16nCCCCCCCNCOCOCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s9;d11;s8;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12BrNO2 |
All Atoms: | 28 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.80477 |
Area: | 405.096 |
Solvation: | -2.32262 |
Coulombic: | -27.8812 |
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: | 2.41 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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