Chemical ID: 3991034

c1c(cc(c2c1C(=O)C(=O)N2)Br)F
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

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Descriptor Annotations

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