Name: Name:1-Butyl-4-chloro-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG00JEVI
Rating: 90 (10 reviews)

1-Butyl-4-chloro-1H-pyrazole-3-carboxylic acid

CAS No.:

1006451-25-7

Catalog Number:

AG00JEVI

Molecular Formula:

C8H11ClN2O2

Molecular Weight:

202.6381

Catalog Number:

AG00JEVI

Chemical Name:

1-Butyl-4-chloro-1H-pyrazole-3-carboxylic acid

CAS Number:

1006451-25-7

Molecular Formula:

C8H11ClN2O2

Molecular Weight:

202.6381

MDL Number:

MFCD06805222

IUPAC Name:

1-butyl-4-chloropyrazole-3-carboxylic acid

InChI:

InChI=1S/C8H11ClN2O2/c1-2-3-4-11-5-6(9)7(10-11)8(12)13/h5H,2-4H2,1H3,(H,12,13)

InChI Key:

MHJDAWLGUWVPST-UHFFFAOYSA-N

SMILES:

CCCCn1cc(c(n1)C(=O)O)Cl

Complexity:

189

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