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Chemical ID: 5097498
Chemical ID:
5097498
Name [?]:
2-amino-2-(2,5-dichlorophenyl)-acetic acid
SMILES [?]:
c1cc(c(cc1Cl)C(C(=O)O)N)Cl
InChi [?]:
InChI=1/C8H7Cl2NO2/c9-4-1-2-6(10)5(3-4)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,9,7,13,12,10,11/E:(12,13)/rA:13cCCCCCCClCCOONCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s8;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7Cl2NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.33445 |
Area: | 364.238 |
Solvation: | -1.77149 |
Coulombic: | -40.7461 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.052 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -0.53 |
LogP (Chemaxon): | -0.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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