Name: Name:4-[(2-bromo-4-fluorophenyl)methyl]oxane-4-carboxylic acid
Brand: Angene
SKU: AG01ALLH
Rating: 90 (10 reviews)

4-[(2-bromo-4-fluorophenyl)methyl]oxane-4-carboxylic acid

CAS No.:

1498465-28-3

Catalog Number:

AG01ALLH

Molecular Formula:

C13H14BrFO3

Molecular Weight:

317.1509

Catalog Number:

AG01ALLH

Chemical Name:

4-[(2-bromo-4-fluorophenyl)methyl]oxane-4-carboxylic acid

CAS Number:

1498465-28-3

Molecular Formula:

C13H14BrFO3

Molecular Weight:

317.1509

MDL Number:

MFCD17140680

IUPAC Name:

4-[(2-bromo-4-fluorophenyl)methyl]oxane-4-carboxylic acid

InChI:

InChI=1S/C13H14BrFO3/c14-11-7-10(15)2-1-9(11)8-13(12(16)17)3-5-18-6-4-13/h1-2,7H,3-6,8H2,(H,16,17)

InChI Key:

VBKOQBBJCULTSE-UHFFFAOYSA-N

SMILES:

Fc1ccc(c(c1)Br)CC1(CCOCC1)C(=O)O

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.011g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.154g/mol

Monoisotopic Mass:

316.011g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7