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Chemical ID: 7530215
Chemical ID:
7530215
Name [?]:
methyl 3-(3,4-dichlorobenzoyl)amino-2-methyl-benzoate
SMILES [?]:
Cc1c(cccc1NC(=O)c2ccc(c(c2)Cl)Cl)C(=O)OC
InChi [?]:
InChI=1/C16H13Cl2NO3/c1-9-11(16(21)22-2)4-3-5-14(9)19-15(20)10-6-7-12(17)13(18)8-10/h3-8H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,5,4,6,12,13,16,2,11,3,14,15,7,9,19,18,17,8,10,20,21/rA:22nCCCCCCCNCOCCCCCCClClCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;s3;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2NO3 |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5786 |
Area: | 526.725 |
Solvation: | -2.58947 |
Coulombic: | -42.7084 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.4 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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