Name: Name:4H-Pyrano[4,3-d]pyrimidin-4-one, 2-(chloromethyl)-3,5,7,8-tetrahydro-
Brand: Angene
SKU: AG001H6F
Rating: 90 (10 reviews)

4H-Pyrano[4,3-d]pyrimidin-4-one, 2-(chloromethyl)-3,5,7,8-tetrahydro-

CAS No.:

1417917-59-9

Catalog Number:

AG001H6F

Molecular Formula:

C8H9ClN2O2

Molecular Weight:

200.6223

Catalog Number:

AG001H6F

Chemical Name:

4H-Pyrano[4,3-d]pyrimidin-4-one, 2-(chloromethyl)-3,5,7,8-tetrahydro-

CAS Number:

1417917-59-9

Molecular Formula:

C8H9ClN2O2

Molecular Weight:

200.6223

MDL Number:

MFCD25542070

IUPAC Name:

2-(chloromethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

InChI:

InChI=1S/C8H9ClN2O2/c9-3-7-10-6-1-2-13-4-5(6)8(12)11-7/h1-4H2,(H,10,11,12)

InChI Key:

RPZAUKYBUXOJNX-UHFFFAOYSA-N

SMILES:

ClCc1nc2CCOCc2c(=O)[nH]1

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.622g/mol

Monoisotopic Mass:

200.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4