Name: Name:2-(azetidin-3-yl)-5-bromopyridine, bis(trifluoroacetic acid)
Brand: Angene
SKU: AG01B81E
Rating: 90 (10 reviews)

2-(azetidin-3-yl)-5-bromopyridine, bis(trifluoroacetic acid)

CAS No.:

1803582-07-1

Catalog Number:

AG01B81E

Molecular Formula:

C12H11BrF6N2O4

Molecular Weight:

441.1212

Catalog Number:

AG01B81E

Chemical Name:

2-(azetidin-3-yl)-5-bromopyridine, bis(trifluoroacetic acid)

CAS Number:

1803582-07-1

Molecular Formula:

C12H11BrF6N2O4

Molecular Weight:

441.1212

MDL Number:

MFCD28145602

IUPAC Name:

2-(azetidin-3-yl)-5-bromopyridine;2,2,2-trifluoroacetic acid

InChI:

InChI=1S/C8H9BrN2.2C2HF3O2/c9-7-1-2-8(11-5-7)6-3-10-4-6;2*3-2(4,5)1(6)7/h1-2,5-6,10H,3-4H2;2*(H,6,7)

InChI Key:

FSCXRIYFKMOGIB-UHFFFAOYSA-N

SMILES:

OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Brc1ccc(nc1)C1CNC1

Complexity:

220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

439.981g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

441.124g/mol

Monoisotopic Mass:

439.981g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: