Chemical ID: 6698260

COc1cc(c(cc1C(=O)[O-])Cl)N
Chemical ID:
6698260
Name [?]:
4-amino-5-chloro-2-methoxy-benzoate
SMILES [?]:
COc1cc(c(cc1C(=O)[O-])Cl)N
InChi [?]:
InChI=1/C8H8ClNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,7,4,8,6,5,3,9,12,13,10,11,2/E:(11,12)/rA:13nCOCCCCCCCOO-ClN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s6;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7ClNO3-
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-37.918
Area:349.741
Solvation:-46.6615
Coulombic:-19.3164
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.599
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.88
LogP (Chemaxon):1.04

Name Annotations

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Descriptor Annotations

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