2-(Benzyloxy)-5-nitroaniline

HCID 264603
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Basic information

CAS
88964-90-3
Standard SMILES
Nc1cc([N+](=O)[O-])ccc1OCc1ccccc1
InChIKey
VWLXPSZDHYNSRA-UHFFFAOYSA-N
Molecular formula
C13H12N2O3
Average molar mass
244.25 g/mol
Monoisotopic mass
244.08479224

Names & identifiers

Preferred name
2-(Benzyloxy)-5-nitroaniline
IUPAC
5-nitro-2-phenylmethoxyaniline

Names & synonyms

2-(benzyloxy)-5-nitroaniline88964-90-3MLS002703500NSC99757NCIOpen2_0065942-benzyloxy-5-nitro-anilineCHEMBL1707436SCHEMBL15814442DTXSID80295119VWLXPSZDHYNSRA-UHFFFAOYSA-NNSC-99757AKOS011796246
Show more names
DA-40790SMR001570218CS-0458594EN300-1295182

Database identifiers

CAS
88964-90-3
PubChem CID
264603
DTXSID
DTXSID80295119
ChEMBL
CHEMBL1707436

Properties

Computed structural properties

XLogP
3
Topological polar surface area
81.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18

Related reactions

4 records
New reaction record

Compound notes

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