2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid

HCID 280962CAS 77350-06-2
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Basic information

Standard SMILES
O=C(O)c1cc(Cl)c(C(=O)O)c([N+](=O)[O-])c1Cl
InChIKey
NSJLYUXYIKYXDM-UHFFFAOYSA-N
Molecular formula
C8H3Cl2NO6
Average molar mass
280.01 g/mol
Monoisotopic mass
278.93374218

Names & identifiers

Preferred name
2,5-Dichloro-3-nitrobenzene-1,4-dicarboxylic acid
IUPAC
2,5-dichloro-3-nitroterephthalic acid

Names & synonyms

77350-06-22,5-dichloro-3-nitrobenzene-1,4-dicarboxylic acidNSC1333822,5-dichloro-3-nitro-benzene-1,4-dicarboxylic acidSCHEMBL11030713DTXSID40299870NSJLYUXYIKYXDM-UHFFFAOYSA-NNSC-1333822,5-dichloro-3-nitro-terephthalic acidDS-003700

Database identifiers

CAS
77350-06-2
PubChem CID
280962
DTXSID
DTXSID40299870

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
120 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
17

Related reactions

6 records
New reaction record

Linked notes

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