Name: Name:1-(2-Fluoro-6-(trifluoromethyl)benzyl)-5-iodo-6-methylpyrimidine-2,4(1h,3h)-dione
Brand: Angene
SKU: AG000FRZ
Rating: 90 (10 reviews)

1-(2-Fluoro-6-(trifluoromethyl)benzyl)-5-iodo-6-methylpyrimidine-2,4(1h,3h)-dione

CAS No.:

1150560-54-5

Catalog Number:

AG000FRZ

Molecular Formula:

C13H9F4IN2O2

Molecular Weight:

428.1208

Catalog Number:

AG000FRZ

Chemical Name:

1-(2-Fluoro-6-(trifluoromethyl)benzyl)-5-iodo-6-methylpyrimidine-2,4(1h,3h)-dione

CAS Number:

1150560-54-5

Molecular Formula:

C13H9F4IN2O2

Molecular Weight:

428.1208

MDL Number:

MFCD19441362

IUPAC Name:

1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-iodo-6-methylpyrimidine-2,4-dione

InChI:

InChI=1S/C13H9F4IN2O2/c1-6-10(18)11(21)19-12(22)20(6)5-7-8(13(15,16)17)3-2-4-9(7)14/h2-4H,5H2,1H3,(H,19,21,22)

InChI Key:

TZBUKGISILNJCR-UHFFFAOYSA-N

SMILES:

Fc1cccc(c1Cn1c(=O)[nH]c(=O)c(c1C)I)C(F)(F)F

Complexity:

521

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

427.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

428.125g/mol

Monoisotopic Mass:

427.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7