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Chemical ID: 6920773
Chemical ID:
6920773
Name [?]:
4-bromoindoline-2,3-dione
SMILES [?]:
c1cc2c(c(c1)Br)C(=O)C(=O)N2
InChi [?]:
InChI=1/C8H4BrNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,6,2,5,3,4,8,10,7,12,9,11/rA:12nCCCCCCBrCOCON/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;d10;s3s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4BrNO2 |
All Atoms: | 16 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.63044 |
Area: | 316.087 |
Solvation: | -2.27173 |
Coulombic: | -30.9778 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 226.027 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.38 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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