Chemical ID: 4662625

c1cc(c(cc1C=O)[N+](=O)[O-])Cl
Chemical ID:
4662625
Name [?]:
4-chloro-3-nitro-benzaldehyde
SMILES [?]:
c1cc(c(cc1C=O)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C7H4ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,5,7,6,3,4,12,9,8,10,11/E:(11,12)/CRV:9.5/rA:12nCCCCCCCON+OO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;s4;d9;s9;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4ClNO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-0.188928
Area:331.417
Solvation:-8.47436
Coulombic:-16.6985
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

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Experimental Annotations

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Descriptor Annotations

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