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Chemical ID: 4115172
Chemical ID:
4115172
Name [?]:
2-chloro-5-methyl-benzoic acid
SMILES [?]:
Cc1ccc(c(c1)C(=O)O)Cl
InChi [?]:
InChI=1/C8H7ClO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,6,5,8,11,9,10/E:(10,11)/rA:11nCCCCCCCCOOCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7ClO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.33557 |
Area: | 315.674 |
Solvation: | -1.55628 |
Coulombic: | -28.5092 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 170.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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