Name: Name:methyl 4-fluoro-1H-1,3-benzodiazole-5-carboxylate
Brand: Angene
SKU: AG01E942
Rating: 90 (10 reviews)

methyl 4-fluoro-1H-1,3-benzodiazole-5-carboxylate

CAS No.:

1804150-63-7

Catalog Number:

AG01E942

Molecular Formula:

C9H7FN2O2

Molecular Weight:

194.1625

Catalog Number:

AG01E942

Chemical Name:

methyl 4-fluoro-1H-1,3-benzodiazole-5-carboxylate

CAS Number:

1804150-63-7

Molecular Formula:

C9H7FN2O2

Molecular Weight:

194.1625

MDL Number:

MFCD28950268

IUPAC Name:

methyl 4-fluoro-1H-benzimidazole-5-carboxylate

InChI:

InChI=1S/C9H7FN2O2/c1-14-9(13)5-2-3-6-8(7(5)10)12-4-11-6/h2-4H,1H3,(H,11,12)

InChI Key:

WNHUIFHCENVZBZ-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc2c(c1F)nc[nH]2

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.165g/mol

Monoisotopic Mass:

194.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4