Chemical ID: 6637921

CC(=O)Nc1ccc(cc1C(=O)O)Br
Chemical ID:
6637921
Name [?]:
2-acetamido-5-bromo-benzoic acid
SMILES [?]:
CC(=O)Nc1ccc(cc1C(=O)O)Br
InChi [?]:
InChI=1/C9H8BrNO3/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,7,6,9,2,8,10,5,11,14,4,3,12,13/E:(13,14)/rA:14nCCONCCCCCCCOOBr/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s8;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8BrNO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.03023
Area:368.792
Solvation:-2.18956
Coulombic:-46.9948
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:258.069
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.33
LogP (Chemaxon):2.33

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