CAS 62780-67-0 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol (HCID 112955)

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Basic information

CAS: 62780-67-0
Standard SMILES: O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCCCO
InChIKey: UDXBXNMUCAZWPI-UHFFFAOYSA-N
Molecular formula: C9H10Cl2N2O3
Average molar mass: 265.09 g/mol
Monoisotopic mass: 264.00684754

Names & identifiers

Preferred name: 3-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol
IUPAC: 3-(4,5-dichloro-2-nitroanilino)propan-1-ol
English name: 3-[(4,5-dichloro-2-nitrophenyl)amino]propan-1-ol
Molecular formula: C9H10Cl2N2O3
Molecular weight: 265.09

Names & synonyms

62780-67-00G38IPM1I32-(3-Hydroxypropylamino)-4,5-dichloronitrobenzene1-Propanol, 3-[(4,5-dichloro-2-nitrophenyl)amino]-EINECS 263-726-9NSC-141424UNII-0G38IPM1I31-Propanol, 3-((4,5-dichloro-2-nitrophenyl)amino)-DTXSID80696443-((4,5-Dichloro-2-nitrophenyl)amino)-1-propanol3-[(4,5-dichloro-2-nitrophenyl)amino]-1-propanolNSC 141424

Show more names

3-(4,5-DICHLORO-2-NITROANILINO)-1-PROPANOL

RefChem:91998DTXCID7043530263-726-93-((4,5-Dichloro-2-nitrophenyl)amino)propan-1-ol3-[(4,5-DICHLORO-2-NITROPHENYL)AMINO]PROPAN-1-OLNSC1414243-(4,5-dichloro-2-nitroanilino)propan-1-olSCHEMBL11101629

Database identifiers

CAS: 62780-67-0
PubChem CID: 112955
DTXSID: DTXSID8069644
UNII: 0G38IPM1I3
EC Number: 263-726-9
Nikkaji: J307.128F

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 78.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 237

Physicochemical properties

FDA UNII: 0 G38IPM1I3 · 0G38IPM1I3
EPA Substance Registry System: 1 · 1-Propanol, 3-[(4,5-dichloro-2-nitrophenyl)amino]- (62780-67-0)
TSCA: TSCA listed