Name: Name:1-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AHEW
Rating: 90 (10 reviews)

1-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1238672-29-1

Catalog Number:

AG01AHEW

Molecular Formula:

C8H11ClN2O2

Molecular Weight:

202.6381

Catalog Number:

AG01AHEW

Chemical Name:

1-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1238672-29-1

Molecular Formula:

C8H11ClN2O2

Molecular Weight:

202.6381

MDL Number:

MFCD18785464

IUPAC Name:

1-(2-chloroethyl)-3,5-dimethylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H11ClN2O2/c1-5-7(8(12)13)6(2)11(10-5)4-3-9/h3-4H2,1-2H3,(H,12,13)

InChI Key:

RXGFXRKWRWNSIX-UHFFFAOYSA-N

SMILES:

ClCCn1nc(c(c1C)C(=O)O)C

Complexity:

201

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

202.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

202.638g/mol

Monoisotopic Mass:

202.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1