Chemical ID: 7006944

CC(=O)Oc1ccc(cc1C(=O)NCC(=O)O)Br
Chemical ID:
7006944
Name [?]:
2-(2-acetoxy-5-bromo-benzoyl)aminoacetic acid
SMILES [?]:
CC(=O)Oc1ccc(cc1C(=O)NCC(=O)O)Br
InChi [?]:
InChI=1/C11H10BrNO5/c1-6(14)18-9-3-2-7(12)4-8(9)11(17)13-5-10(15)16/h2-4H,5H2,1H3,(H,13,17)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,7,6,9,14,2,8,10,5,15,11,18,13,3,16,17,12,4/E:(15,16)/rA:18nCCOOCCCCCCCONCCOOBr/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;s14;d15;s15;s8;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10BrNO5
All Atoms:28
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.81911
Area:452.045
Solvation:-3.48202
Coulombic:-64.7617
Bond Count [?]
All:18
Single:12
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.105
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.39
LogP (Chemaxon):0.78

Name Annotations

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Descriptor Annotations

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