Name: Name:4-chloro-2-methoxy-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
Brand: Angene
SKU: AG01DXAJ
Rating: 90 (10 reviews)

4-chloro-2-methoxy-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one

CAS No.:

1093799-53-1

Catalog Number:

AG01DXAJ

Molecular Formula:

C7H6ClN3O2

Molecular Weight:

199.5944

Catalog Number:

AG01DXAJ

Chemical Name:

4-chloro-2-methoxy-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one

CAS Number:

1093799-53-1

Molecular Formula:

C7H6ClN3O2

Molecular Weight:

199.5944

MDL Number:

MFCD21362713

IUPAC Name:

4-chloro-2-methoxy-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

InChI:

InChI=1S/C7H6ClN3O2/c1-13-7-10-5(8)3-2-4(12)9-6(3)11-7/h2H2,1H3,(H,9,10,11,12)

InChI Key:

FGKVVZSUPFZMOB-UHFFFAOYSA-N

SMILES:

COc1nc2NC(=O)Cc2c(n1)Cl

Complexity:

226

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.594g/mol

Monoisotopic Mass:

199.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7