Name: Name:2-chloro-1-(1,5-dimethyl-1H-pyrazol-3-yl)ethan-1-one
Brand: Angene
SKU: AG01DYTE
Rating: 90 (10 reviews)

2-chloro-1-(1,5-dimethyl-1H-pyrazol-3-yl)ethan-1-one

CAS No.:

1691739-40-8

Catalog Number:

AG01DYTE

Molecular Formula:

C7H9ClN2O

Molecular Weight:

172.6122

Catalog Number:

AG01DYTE

Chemical Name:

2-chloro-1-(1,5-dimethyl-1H-pyrazol-3-yl)ethan-1-one

CAS Number:

1691739-40-8

Molecular Formula:

C7H9ClN2O

Molecular Weight:

172.6122

MDL Number:

MFCD31666133

IUPAC Name:

2-chloro-1-(1,5-dimethylpyrazol-3-yl)ethanone

InChI:

InChI=1S/C7H9ClN2O/c1-5-3-6(7(11)4-8)9-10(5)2/h3H,4H2,1-2H3

InChI Key:

PQQZTZOSNCEDFS-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1nn(c(c1)C)C

Complexity:

163

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

172.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

172.612g/mol

Monoisotopic Mass:

172.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3