Chemical ID: 4948809

c1cc(c(c(c1)Cl)C(=O)O)[N+](=O)[O-]
Chemical ID:
4948809
Name [?]:
2-chloro-6-nitro-benzoic acid
SMILES [?]:
c1cc(c(c(c1)Cl)C(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H4ClNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,6,2,5,3,4,8,7,11,9,10,12,13/E:(10,11)(12,13)/CRV:9.5/rA:13nCCCCCCClCOON+OO-/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4ClNO4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:0.658281
Area:335.567
Solvation:-7.7309
Coulombic:-36.5803
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:201.564
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.03
LogP (Chemaxon):2.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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