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Chemical ID: 4259728
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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