Name: Name:1-Azetidinecarboxylic acid, 3-fluoro-3-(hydroxymethyl)-, phenylmethyl ester
Brand: Angene
SKU: AG0013BI
Rating: 90 (10 reviews)

1-Azetidinecarboxylic acid, 3-fluoro-3-(hydroxymethyl)-, phenylmethyl ester

CAS No.:

1374658-54-4

Catalog Number:

AG0013BI

Molecular Formula:

C12H14FNO3

Molecular Weight:

239.2429

Catalog Number:

AG0013BI

Chemical Name:

1-Azetidinecarboxylic acid, 3-fluoro-3-(hydroxymethyl)-, phenylmethyl ester

CAS Number:

1374658-54-4

Molecular Formula:

C12H14FNO3

Molecular Weight:

239.2429

MDL Number:

MFCD23131338

IUPAC Name:

benzyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate

InChI:

InChI=1S/C12H14FNO3/c13-12(9-15)7-14(8-12)11(16)17-6-10-4-2-1-3-5-10/h1-5,15H,6-9H2

InChI Key:

PRDGFXHPHNMFIJ-UHFFFAOYSA-N

SMILES:

OCC1(F)CN(C1)C(=O)OCc1ccccc1

Complexity:

273

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.246g/mol

Monoisotopic Mass:

239.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9