Chemical ID: 6920773

c1cc2c(c(c1)Br)C(=O)C(=O)N2
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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Descriptor Annotations

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