Name: Name:5-tert-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
Brand: Angene
SKU: AG0001Z7
Rating: 90 (10 reviews)

5-tert-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

CAS No.:

1004398-30-4

Catalog Number:

AG0001Z7

Molecular Formula:

C12H13N3O3

Molecular Weight:

247.2499

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

98%

In Stock USA

United States

$75

- +

98%

In Stock USA

United States

$225

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Catalog Number:

AG0001Z7

Chemical Name:

5-tert-Butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

CAS Number:

1004398-30-4

Molecular Formula:

C12H13N3O3

Molecular Weight:

247.2499

MDL Number:

MFCD02310126

IUPAC Name:

5-tert-butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

InChI:

InChI=1S/C12H13N3O3/c1-12(2,3)11-13-10(14-18-11)8-5-4-6-9(7-8)15(16)17/h4-7H,1-3H3

InChI Key:

KYPMVLKLTRSNTQ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc(c1)c1noc(n1)C(C)(C)C

Complexity:

311

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.254g/mol

Monoisotopic Mass:

247.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3