Chemical ID: 3969943

c1cc(c(cc1[N+](=O)[O-])C=O)Cl
Chemical ID:
3969943
Name [?]:
2-chloro-5-nitro-benzaldehyde
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])C=O)Cl
InChi [?]:
InChI=1/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,5,10,4,6,3,12,7,11,8,9/E:(11,12)/CRV:9.5/rA:12nCCCCCCN+OO-COCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4ClNO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-0.223243
Area:331.716
Solvation:-8.51614
Coulombic:-16.3591
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:185.564
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.11
LogP (Chemaxon):2.19

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue