Chemical ID: 7225530

c1cc(c(cc1N(=O)=O)C(=O)[O-])Cl
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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