Name: Name:2-{2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}acetic acid
Brand: Angene
SKU: AG01A0TA
Rating: 90 (10 reviews)

2-{2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}acetic acid

CAS No.:

1110717-81-1

Catalog Number:

AG01A0TA

Molecular Formula:

C12H9ClFNO2S

Molecular Weight:

285.7218

Catalog Number:

AG01A0TA

Chemical Name:

2-{2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl}acetic acid

CAS Number:

1110717-81-1

Molecular Formula:

C12H9ClFNO2S

Molecular Weight:

285.7218

MDL Number:

MFCD09959887

IUPAC Name:

2-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid

InChI:

InChI=1S/C12H9ClFNO2S/c13-10-4-8(14)2-1-7(10)3-11-15-9(6-18-11)5-12(16)17/h1-2,4,6H,3,5H2,(H,16,17)

InChI Key:

GAPJSWQEDIJNSZ-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1csc(n1)Cc1ccc(cc1Cl)F

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.003g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.717g/mol

Monoisotopic Mass:

285.003g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1