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Chemical ID: 4727773
Chemical ID:
4727773
Name [?]:
5-amino-2-chloro-benzoic acid
SMILES [?]:
c1cc(c(cc1N)C(=O)O)Cl
InChi [?]:
InChI=1/C7H6ClNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,11,7,9,10/E:(10,11)/rA:11nCCCCCCNCOOCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s3;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6ClNO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.08386 |
Area: | 314.517 |
Solvation: | -1.77908 |
Coulombic: | -43.8618 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 171.581 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.44 |
LogP (Chemaxon): | 0.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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