Chemical ID: 5546156

CCOC(=O)CN1c2ccc(cc2C(=O)C1=O)Br
Chemical ID:
5546156
Name [?]:
ethyl 2-(5-bromo-2,3-dioxo-indolin-1-yl)acetate
SMILES [?]:
CCOC(=O)CN1c2ccc(cc2C(=O)C1=O)Br
InChi [?]:
InChI=1/C12H10BrNO4/c1-2-18-10(15)6-14-9-4-3-7(13)5-8(9)11(16)12(14)17/h3-5H,2,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,12,6,11,13,8,4,14,16,18,7,5,15,17,3/rA:18nCCOCOCNCCCCCCCOCOBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s7s14;d16;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10BrNO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.6579
Area:445.733
Solvation:-3.48544
Coulombic:-45.1025
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:312.116
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.65
LogP (Chemaxon):1.59

Name Annotations

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Descriptor Annotations

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