2H-1-Benzopyran-2-one, 8-(2-phenoxyethoxy)-3-(1H-tetrazol-5-yl)-

HCID 3067232

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 80916-90-1
Standard SMILES: O=c1oc2c(OCCOc3ccccc3)cccc2cc1-c1nn[nH]n1
InChIKey: LNRPOCCRGUTYRK-UHFFFAOYSA-N
Molecular formula: C18H14N4O4
Average molar mass: 350.3 g/mol
Monoisotopic mass: 350.10150494

Names & identifiers

Preferred name: 2H-1-Benzopyran-2-one, 8-(2-phenoxyethoxy)-3-(1H-tetrazol-5-yl)-
IUPAC: 8-(2-phenoxyethoxy)-3-(2H-tetrazol-5-yl)chromen-2-one
English name: 8-(2-Phenoxyethyloxy)-3-(1H-tetrazol-5-yl)coumarin
Molecular weight: 0

Names & synonyms

80916-90-18-(2-Phenoxyethyloxy)-3-(1H-tetrazol-5-yl)coumarin2H-1-Benzopyran-2-one, 8-(2-phenoxyethoxy)-3-(1H-tetrazol-5-yl)-8-(2-Phenoxyethoxy)-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-oneDTXSID90230793RefChem:268271DTXCID20153284SCHEMBL110190168-(2-Phenoxyethoxy)-3-(2H-tetrazol-5-yl)-2H-1-benzopyran-2-one

Database identifiers

CAS: 80916-90-1
PubChem CID: 3067232
DTXSID: DTXSID90230793

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 99.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 523

Chemistry & industry

Suppliers2 total

宁波振岳医药科技有限公司19817745290 · [email protected]

宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…