Name: Name:6-chloro-1-(prop-2-en-1-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG01EM4J
Rating: 90 (10 reviews)

6-chloro-1-(prop-2-en-1-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS No.:

2138003-96-8

Catalog Number:

AG01EM4J

Molecular Formula:

C8H7ClN4O

Molecular Weight:

210.6204

Catalog Number:

AG01EM4J

Chemical Name:

6-chloro-1-(prop-2-en-1-yl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

CAS Number:

2138003-96-8

Molecular Formula:

C8H7ClN4O

Molecular Weight:

210.6204

MDL Number:

MFCD31589545

IUPAC Name:

6-chloro-1-prop-2-enyl-3aH-pyrazolo[3,4-d]pyrimidin-4-one

InChI:

InChI=1S/C8H7ClN4O/c1-2-3-13-6-5(4-10-13)7(14)12-8(9)11-6/h2,4-5H,1,3H2

InChI Key:

LDNUBBHJNYXKBY-UHFFFAOYSA-N

SMILES:

C=CCn1ncc2c1nc(Cl)[nH]c2=O

Complexity:

385

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.621g/mol

Monoisotopic Mass:

210.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8