Chemical ID: 4259728

c1cc(c(cc1[N+](=O)[O-])Cl)Cl
Chemical ID:
4259728
Name [?]:
1,2-dichloro-4-nitro-benzene
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChi Info:
AuxInfo=1/0/N:1,2,5,6,3,4,11,10,7,8,9/E:(10,11)/CRV:9.5/rA:11nCCCCCCN+OO-ClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H3Cl2NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:1.87512
Area:333.495
Solvation:-6.46224
Coulombic:-11.4163
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.999
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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