Chemical ID: 6683244

c1cc(c(cc1Cl)C=O)[N+](=O)[O-]
Chemical ID:
6683244
Name [?]:
5-chloro-2-nitro-benzaldehyde
SMILES [?]:
c1cc(c(cc1Cl)C=O)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H4ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,5,8,4,6,3,7,10,9,11,12/E:(11,12)/CRV:9.5/rA:12nCCCCCCClCON+OO-/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s3;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4ClNO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:1.19613
Area:336.125
Solvation:-7.20698
Coulombic:-17.5758
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

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Descriptor Annotations

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