Name: Name:3-{4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl}propanenitrile
Brand: Angene
SKU: AG01A8Z3
Rating: 90 (10 reviews)

3-{4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl}propanenitrile

CAS No.:

1099670-02-6

Catalog Number:

AG01A8Z3

Molecular Formula:

C8H6ClN5

Molecular Weight:

207.6197

Catalog Number:

AG01A8Z3

Chemical Name:

3-{4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl}propanenitrile

CAS Number:

1099670-02-6

Molecular Formula:

C8H6ClN5

Molecular Weight:

207.6197

MDL Number:

MFCD11651118

IUPAC Name:

3-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)propanenitrile

InChI:

InChI=1S/C8H6ClN5/c9-7-6-4-13-14(3-1-2-10)8(6)12-5-11-7/h4-5H,1,3H2

InChI Key:

JKGAHXLJDMNGLR-UHFFFAOYSA-N

SMILES:

Clc1ncnc2c1cnn2CCC#N

Complexity:

249

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

207.621g/mol

Monoisotopic Mass:

207.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3