Name: Name:2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzonitrile
Brand: Angene
SKU: AG0006OR
Rating: 90 (10 reviews)

2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzonitrile

CAS No.:

1021298-68-9

Catalog Number:

AG0006OR

Molecular Formula:

C16H10FN3O

Molecular Weight:

279.2685

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

≥95%

In Stock USA

United States

$186

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10g

≥95%

In Stock USA

United States

$297

- +

Catalog Number:

AG0006OR

Chemical Name:

2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzonitrile

CAS Number:

1021298-68-9

Molecular Formula:

C16H10FN3O

Molecular Weight:

279.2685

MDL Number:

MFCD28133450

IUPAC Name:

2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrile

InChI:

InChI=1S/C16H10FN3O/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(21)20-19-15/h1-7H,8H2,(H,20,21)

InChI Key:

LCPWJQRZOHAMOZ-UHFFFAOYSA-N

SMILES:

N#Cc1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2

Complexity:

495

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.274g/mol

Monoisotopic Mass:

279.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4