Name: Name:3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Brand: Angene
SKU: AG019W82
Rating: 90 (10 reviews)

3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

CAS No.:

1094380-46-7

Catalog Number:

AG019W82

Molecular Formula:

C8H6ClNO3S

Molecular Weight:

231.6561

Catalog Number:

AG019W82

Chemical Name:

3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

CAS Number:

1094380-46-7

Molecular Formula:

C8H6ClNO3S

Molecular Weight:

231.6561

MDL Number:

MFCD11186364

IUPAC Name:

3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

InChI:

InChI=1S/C8H6ClNO3S/c9-7-2-1-6(14-7)4-3-5(8(11)12)13-10-4/h1-2,5H,3H2,(H,11,12)

InChI Key:

QUGVSBHCFWYJOI-UHFFFAOYSA-N

SMILES:

OC(=O)C1CC(=NO1)c1ccc(s1)Cl

Complexity:

284

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.976g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.65g/mol

Monoisotopic Mass:

230.976g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4