Name: Name:3-Quinolineacetic acid,4-chloro-α-hydroxy-2-methyl-, methyl ester, (αS)-
Brand: Angene
SKU: AG009CGE
Rating: 90 (10 reviews)

3-Quinolineacetic acid,4-chloro-α-hydroxy-2-methyl-, methyl ester, (αS)-

CAS No.:

1402597-30-1

Catalog Number:

AG009CGE

Molecular Formula:

C13H12ClNO3

Molecular Weight:

265.6923

Catalog Number:

AG009CGE

Chemical Name:

3-Quinolineacetic acid,4-chloro-α-hydroxy-2-methyl-, methyl ester, (αS)-

CAS Number:

1402597-30-1

Molecular Formula:

C13H12ClNO3

Molecular Weight:

265.6923

MDL Number:

MFCD29472325

IUPAC Name:

methyl (2S)-2-(4-chloro-2-methylquinolin-3-yl)-2-hydroxyacetate

InChI:

InChI=1S/C13H12ClNO3/c1-7-10(12(16)13(17)18-2)11(14)8-5-3-4-6-9(8)15-7/h3-6,12,16H,1-2H3/t12-/m0/s1

InChI Key:

JCHJRFINNAOOGF-LBPRGKRZSA-N

SMILES:

COC(=O)[C@H](c1c(C)nc2c(c1Cl)cccc2)O

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.693g/mol

Monoisotopic Mass:

265.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5