Chemical ID: 6683473

c1cc(c(c(c1)Cl)[N+](=O)[O-])C(=O)O
Chemical ID:
6683473
Name [?]:
3-chloro-2-nitro-benzoic acid
SMILES [?]:
c1cc(c(c(c1)Cl)[N+](=O)[O-])C(=O)O
InChi [?]:
InChI=1/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,11,7,8,12,13,9,10/E:(10,11)(12,13)/CRV:9.5/rA:13nCCCCCCClN+OO-COO/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:0.251649
Area:336.426
Solvation:-8.15901
Coulombic:-36.6614
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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