Name: Name:3-chloro-4-methyl-2-oxo-2H-chromen-7-yl propan-2-yl methylphosphonate
Brand: Angene
SKU: AG01BE39
Rating: 90 (10 reviews)

3-chloro-4-methyl-2-oxo-2H-chromen-7-yl propan-2-yl methylphosphonate

CAS No.:

875577-95-0

Catalog Number:

AG01BE39

Molecular Formula:

C14H16ClO5P

Molecular Weight:

330.7006

Catalog Number:

AG01BE39

Chemical Name:

3-chloro-4-methyl-2-oxo-2H-chromen-7-yl propan-2-yl methylphosphonate

CAS Number:

875577-95-0

Molecular Formula:

C14H16ClO5P

Molecular Weight:

330.7006

IUPAC Name:

3-chloro-4-methyl-7-[methyl(propan-2-yloxy)phosphoryl]oxychromen-2-one

InChI:

InChI=1S/C14H16ClO5P/c1-8(2)19-21(4,17)20-10-5-6-11-9(3)13(15)14(16)18-12(11)7-10/h5-8H,1-4H3

InChI Key:

YZGZZWMODWINHA-UHFFFAOYSA-N

SMILES:

CC(OP(=O)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)C)C

Complexity:

502

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

330.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.701g/mol

Monoisotopic Mass:

330.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8