Name: Name:6-chloro-4-oxo-8-[(pyrimidin-2-ylsulfanyl)methyl]-4H-chromene-3-carbaldehyde
Brand: Angene
SKU: AG00IA2W
Rating: 90 (10 reviews)

6-chloro-4-oxo-8-[(pyrimidin-2-ylsulfanyl)methyl]-4H-chromene-3-carbaldehyde

CAS No.:

565171-11-1

Catalog Number:

AG00IA2W

Molecular Formula:

C15H9ClN2O3S

Molecular Weight:

332.7616

Catalog Number:

AG00IA2W

Chemical Name:

6-chloro-4-oxo-8-[(pyrimidin-2-ylsulfanyl)methyl]-4H-chromene-3-carbaldehyde

CAS Number:

565171-11-1

Molecular Formula:

C15H9ClN2O3S

Molecular Weight:

332.7616

MDL Number:

MFCD03980999

IUPAC Name:

6-chloro-4-oxo-8-(pyrimidin-2-ylsulfanylmethyl)chromene-3-carbaldehyde

InChI:

InChI=1S/C15H9ClN2O3S/c16-11-4-9(8-22-15-17-2-1-3-18-15)14-12(5-11)13(20)10(6-19)7-21-14/h1-7H,8H2

InChI Key:

QGQVNGCAABFFQI-UHFFFAOYSA-N

SMILES:

O=Cc1coc2c(c1=O)cc(cc2CSc1ncccn1)Cl

Complexity:

468

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.002g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.758g/mol

Monoisotopic Mass:

332.002g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5