Name: Name:5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AKW4
Rating: 90 (10 reviews)

5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1152573-99-3

Catalog Number:

AG01AKW4

Molecular Formula:

C8H11ClN2O2

Molecular Weight:

202.6381

Catalog Number:

AG01AKW4

Chemical Name:

5-chloro-1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1152573-99-3

Molecular Formula:

C8H11ClN2O2

Molecular Weight:

202.6381

MDL Number:

MFCD11185442

IUPAC Name:

5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H11ClN2O2/c1-4(2)6-5(8(12)13)7(9)11(3)10-6/h4H,1-3H3,(H,12,13)

InChI Key:

DQVXBAUBNHJBDS-UHFFFAOYSA-N

SMILES:

CC(c1nn(c(c1C(=O)O)Cl)C)C

Complexity:

210

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:

1.9