2-Chloro-4-nitrotoluene
AlkaPlorer ID: AK000428
Synonym: None
IUPAC Name: 2-chloro-1-methyl-4-nitrobenzene
Structure
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Cl
InChI: InChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
InChIKey: LLYXJBROWQDVMI-UHFFFAOYSA-N
Reference
AB INITIO MO CALCULATION STUDIES FOR SEVERAL NOVEL ENTRIES TO TROPANE COMPOUNDS
PubChem CID: 8491
CAS: 121-86-8
Source
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Properties Information
Molecule Weight: 171.583
TPSA？: 43.14
MolLogP？: 2.5566200000000006
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 1
Activities Information
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