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Chemical ID: 3991034
Chemical ID:
3991034
Name [?]:
7-bromo-5-fluoro-indoline-2,3-dione
SMILES [?]:
c1c(cc(c2c1C(=O)C(=O)N2)Br)F
InChi [?]:
InChI=1/C8H3BrFNO2/c9-5-2-3(10)1-4-6(5)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,2,6,4,5,7,9,12,13,11,8,10/rA:13nCCCCCCCOCONBrF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;d9;s5s9;s4;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H3BrFNO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.93934 |
Area: | 328.372 |
Solvation: | -3.26996 |
Coulombic: | -32.9966 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 244.017 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.54 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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