Name: Name:1(3H)-Isobenzofuranone,6-fluoro-3-[(1-Methyl-1H-1,2,4-triazol-5-yl)Methylene]-4-nitro-,(3Z)-
Brand: Angene
SKU: AG009C5S
Rating: 90 (10 reviews)

1(3H)-Isobenzofuranone,6-fluoro-3-[(1-Methyl-1H-1,2,4-triazol-5-yl)Methylene]-4-nitro-,(3Z)-

CAS No.:

1322616-34-1

Catalog Number:

AG009C5S

Molecular Formula:

C12H7FN4O4

Molecular Weight:

290.2068

Catalog Number:

AG009C5S

Chemical Name:

1(3H)-Isobenzofuranone,6-fluoro-3-[(1-Methyl-1H-1,2,4-triazol-5-yl)Methylene]-4-nitro-,(3Z)-

CAS Number:

1322616-34-1

Molecular Formula:

C12H7FN4O4

Molecular Weight:

290.2068

MDL Number:

MFCD25977285

IUPAC Name:

(3Z)-6-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methylidene]-4-nitro-2-benzofuran-1-one

InChI:

InChI=1S/C12H7FN4O4/c1-16-10(14-5-15-16)4-9-11-7(12(18)21-9)2-6(13)3-8(11)17(19)20/h2-5H,1H3/b9-4-

InChI Key:

IHYDPJKFRHSULT-WTKPLQERSA-N

SMILES:

Fc1cc([N+](=O)[O-])c2c(c1)C(=O)O/C/2=C\c1ncnn1C

Complexity:

494

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.21g/mol

Monoisotopic Mass:

290.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5