Name: Name:1-(4-bromo-2-cyanophenyl)azetidine-3-carboxylic acid
Brand: Angene
SKU: AG01C3TN
Rating: 90 (10 reviews)

1-(4-bromo-2-cyanophenyl)azetidine-3-carboxylic acid

CAS No.:

1260653-26-6

Catalog Number:

AG01C3TN

Molecular Formula:

C11H9BrN2O2

Molecular Weight:

281.1054

Catalog Number:

AG01C3TN

Chemical Name:

1-(4-bromo-2-cyanophenyl)azetidine-3-carboxylic acid

CAS Number:

1260653-26-6

Molecular Formula:

C11H9BrN2O2

Molecular Weight:

281.1054

MDL Number:

MFCD11037681

IUPAC Name:

1-(4-bromo-2-cyanophenyl)azetidine-3-carboxylic acid

InChI:

InChI=1S/C11H9BrN2O2/c12-9-1-2-10(7(3-9)4-13)14-5-8(6-14)11(15)16/h1-3,8H,5-6H2,(H,15,16)

InChI Key:

UWFANZUNIALHTJ-UHFFFAOYSA-N

SMILES:

N#Cc1cc(Br)ccc1N1CC(C1)C(=O)O

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.985g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

281.109g/mol

Monoisotopic Mass:

279.985g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8