Ethyl 5-(4-nitrophenyl)thiazole-2-carboxylate

HCID 53404682
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Basic information

Standard SMILES
CCOC(=O)c1ncc(-c2ccc([N+](=O)[O-])cc2)s1
InChIKey
KVXPPGHAOJBJTP-UHFFFAOYSA-N
Molecular formula
C12H10N2O4S
Average molar mass
278.29 g/mol
Monoisotopic mass
278.03612798

Names & identifiers

Preferred name
Ethyl 5-(4-nitrophenyl)thiazole-2-carboxylate
IUPAC
ethyl 5-(4-nitrophenyl)-1,3-thiazole-2-carboxylate

Names & synonyms

ETHYL 5-(4-NITROPHENYL)THIAZOLE-2-CARBOXYLATE1300747-66-3ethyl 5-(4-nitrophenyl)-1,3-thiazole-2-carboxylateSCHEMBL1756309KVXPPGHAOJBJTP-UHFFFAOYSA-NMFCD11976538DA-12844SY566811

Database identifiers

PubChem CID
53404682

Properties

Computed structural properties

XLogP
3
Topological polar surface area
113 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
19

Related reactions

3 records
New reaction record

Linked notes

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