Name: Name:3-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019YE5
Rating: 90 (10 reviews)

3-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1152540-21-0

Catalog Number:

AG019YE5

Molecular Formula:

C10H6ClFN2O2

Molecular Weight:

240.6182

Catalog Number:

AG019YE5

Chemical Name:

3-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1152540-21-0

Molecular Formula:

C10H6ClFN2O2

Molecular Weight:

240.6182

MDL Number:

MFCD11190937

IUPAC Name:

5-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

InChI:

InChI=1S/C10H6ClFN2O2/c11-7-3-5(1-2-8(7)12)9-6(10(15)16)4-13-14-9/h1-4H,(H,13,14)(H,15,16)

InChI Key:

LRWMSVCCLRUPDR-UHFFFAOYSA-N

SMILES:

OC(=O)c1c[nH]nc1c1ccc(c(c1)Cl)F

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.618g/mol

Monoisotopic Mass:

240.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1