Name: Name:5-Thiazolecarboxylic acid,4-chloro-2-[[(1,1-dimethylethoxy)carbonyl]amino]-
Brand: Angene
SKU: AG00IATR
Rating: 90 (10 reviews)

5-Thiazolecarboxylic acid,4-chloro-2-[[(1,1-dimethylethoxy)carbonyl]amino]-

CAS No.:

612541-07-8

Catalog Number:

AG00IATR

Molecular Formula:

C9H11ClN2O4S

Molecular Weight:

278.7126

Catalog Number:

AG00IATR

Chemical Name:

5-Thiazolecarboxylic acid,4-chloro-2-[[(1,1-dimethylethoxy)carbonyl]amino]-

CAS Number:

612541-07-8

Molecular Formula:

C9H11ClN2O4S

Molecular Weight:

278.7126

MDL Number:

MFCD24476508

IUPAC Name:

4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylic acid

InChI:

InChI=1S/C9H11ClN2O4S/c1-9(2,3)16-8(15)12-7-11-5(10)4(17-7)6(13)14/h1-3H3,(H,13,14)(H,11,12,15)

InChI Key:

NBTRAUIPMWUAHA-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Nc1nc(c(s1)C(=O)O)Cl

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.707g/mol

Monoisotopic Mass:

278.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7