Name: Name:2-[(3-fluorophenyl)methyl]-2-methylpropanedioic acid
Brand: Angene
SKU: AG01A5N8
Rating: 90 (10 reviews)

2-[(3-fluorophenyl)methyl]-2-methylpropanedioic acid

CAS No.:

1443979-65-4

Catalog Number:

AG01A5N8

Molecular Formula:

C11H11FO4

Molecular Weight:

226.2010

Catalog Number:

AG01A5N8

Chemical Name:

2-[(3-fluorophenyl)methyl]-2-methylpropanedioic acid

CAS Number:

1443979-65-4

Molecular Formula:

C11H11FO4

Molecular Weight:

226.2010

MDL Number:

MFCD24842978

IUPAC Name:

2-[(3-fluorophenyl)methyl]-2-methylpropanedioic acid

InChI:

InChI=1S/C11H11FO4/c1-11(9(13)14,10(15)16)6-7-3-2-4-8(12)5-7/h2-5H,6H2,1H3,(H,13,14)(H,15,16)

InChI Key:

KBRFXQNXOJLPLQ-UHFFFAOYSA-N

SMILES:

Fc1cccc(c1)CC(C(=O)O)(C(=O)O)C

Complexity:

276

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.203g/mol

Monoisotopic Mass:

226.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9