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Chemical ID: 7225530
Chemical ID:
7225530
Name [?]:
2-chloro-5-nitro-benzoate
SMILES [?]:
c1cc(c(cc1N(=O)=O)C(=O)[O-])Cl
InChi [?]:
InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,10,13,7,11,12,8,9/E:(10,11)(12,13)/CRV:9.5/rA:13nCCCCCCNOOCOO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s4;d10;s10;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H3ClNO4- |
All Atoms: | 16 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -33.4496 |
Area: | 344.113 |
Solvation: | -42.0525 |
Coulombic: | -16.6138 |
Bond Count [?]
All: | 13 |
Single: | 7 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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