Name: Name:Benzonitrile, 4-(3-amino-1,2,4-triazin-6-yl)-2-fluoro-
Brand: Angene
SKU: AG000PKT
Rating: 90 (10 reviews)

Benzonitrile, 4-(3-amino-1,2,4-triazin-6-yl)-2-fluoro-

CAS No.:

1197377-47-1

Catalog Number:

AG000PKT

Molecular Formula:

C10H6FN5

Molecular Weight:

215.1865

Catalog Number:

AG000PKT

Chemical Name:

Benzonitrile, 4-(3-amino-1,2,4-triazin-6-yl)-2-fluoro-

CAS Number:

1197377-47-1

Molecular Formula:

C10H6FN5

Molecular Weight:

215.1865

MDL Number:

MFCD24642894

IUPAC Name:

4-(3-amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile

InChI:

InChI=1S/C10H6FN5/c11-8-3-6(1-2-7(8)4-12)9-5-14-10(13)16-15-9/h1-3,5H,(H2,13,14,16)

InChI Key:

JXQHTMHBDHVPDQ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1F)c1cnc(nn1)N

EC Number:

811-458-3

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.191g/mol

Monoisotopic Mass:

215.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3