Name: Name:2-((6-chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile
Brand: Angene
SKU: AG00GU1R
Rating: 90 (10 reviews)

2-((6-chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile

CAS No.:

865759-24-6

Catalog Number:

AG00GU1R

Molecular Formula:

C13H9ClFN3O2

Molecular Weight:

293.6809

Catalog Number:

AG00GU1R

Chemical Name:

2-((6-chloro-3-Methyl-2,4-dioxo-3,4-dihydropyriMidin-1(2H)-yl)Methyl)-4-fluorobenzonitrile

CAS Number:

865759-24-6

Molecular Formula:

C13H9ClFN3O2

Molecular Weight:

293.6809

MDL Number:

MFCD23695357

IUPAC Name:

2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile

InChI:

InChI=1S/C13H9ClFN3O2/c1-17-12(19)5-11(14)18(13(17)20)7-9-4-10(15)3-2-8(9)6-16/h2-5H,7H2,1H3

InChI Key:

DNCGCZRILRRTMK-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1Cn1c(Cl)cc(=O)n(c1=O)C)F

Complexity:

513

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

293.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

293.682g/mol

Monoisotopic Mass:

293.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5