Name: Name:(2E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid
Brand: Angene
SKU: AG01EM5C
Rating: 90 (10 reviews)

(2E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid

CAS No.:

1613051-28-7

Catalog Number:

AG01EM5C

Molecular Formula:

C12H8FNO2S

Molecular Weight:

249.2608

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Purity

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Product Description

Catalog Number:

AG01EM5C

Chemical Name:

(2E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid

CAS Number:

1613051-28-7

Molecular Formula:

C12H8FNO2S

Molecular Weight:

249.2608

MDL Number:

MFCD07838533

IUPAC Name:

(E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoic acid

InChI:

InChI=1S/C12H8FNO2S/c13-9-3-1-8(2-4-9)12-14-10(7-17-12)5-6-11(15)16/h1-7H,(H,15,16)/b6-5+

InChI Key:

OTYBJFXNZZTKRC-AATRIKPKSA-N

SMILES:

OC(=O)/C=C/c1csc(n1)c1ccc(cc1)F

Properties

Complexity:

303

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.259g/mol

Monoisotopic Mass:

249.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101