Chemical ID: 6046042

c1cc(c(cc1Cl)[N+](=O)[O-])C=O
Chemical ID:
6046042
Name [?]:
4-chloro-2-nitro-benzaldehyde
SMILES [?]:
c1cc(c(cc1Cl)[N+](=O)[O-])C=O
InChi [?]:
InChI=1/C7H4ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
InChi Info:
AuxInfo=1/0/N:2,1,5,11,3,6,4,7,8,12,9,10/E:(11,12)/CRV:9.5/rA:12nCCCCCCClN+OO-CO/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s3;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4ClNO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:1.99537
Area:335.893
Solvation:-6.40197
Coulombic:-19.0539
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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