Name: Name:1H-1,2,4-Triazole,1-[(2-iodophenyl)methyl]-
Brand: Angene
SKU: AG004LEB
Rating: 90 (10 reviews)

1H-1,2,4-Triazole,1-[(2-iodophenyl)methyl]-

CAS No.:

876316-31-3

Catalog Number:

AG004LEB

Molecular Formula:

C9H8IN3

Molecular Weight:

285.0844

Catalog Number:

AG004LEB

Chemical Name:

1H-1,2,4-Triazole,1-[(2-iodophenyl)methyl]-

CAS Number:

876316-31-3

Molecular Formula:

C9H8IN3

Molecular Weight:

285.0844

MDL Number:

MFCD08741431

IUPAC Name:

1-[(2-iodophenyl)methyl]-1,2,4-triazole

InChI:

InChI=1S/C9H8IN3/c10-9-4-2-1-3-8(9)5-13-7-11-6-12-13/h1-4,6-7H,5H2

InChI Key:

NDJIYFFWZVACMJ-UHFFFAOYSA-N

SMILES:

Ic1ccccc1Cn1cncn1

Complexity:

165

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.976g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.088g/mol

Monoisotopic Mass:

284.976g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6