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Chemical ID: 6048750
Chemical ID:
6048750
Name [?]:
ethyl 4-amino-3-chloro-benzoate
SMILES [?]:
CCOC(=O)c1ccc(c(c1)Cl)N
InChi [?]:
InChI=1/C9H10ClNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,11,6,10,9,4,12,13,5,3/rA:13nCCOCOCCCCCCClN/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H10ClNO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85123 |
Area: | 374.507 |
Solvation: | -1.51145 |
Coulombic: | -37.322 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 199.634 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.19 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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