Name: Name:4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-fluorobenzoic acid
Brand: Angene
SKU: AG01AHMO
Rating: 90 (10 reviews)

4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-fluorobenzoic acid

CAS No.:

1152868-20-6

Catalog Number:

AG01AHMO

Molecular Formula:

C12H11FN2O2

Molecular Weight:

234.2263

Catalog Number:

AG01AHMO

Chemical Name:

4-(3,5-dimethyl-1H-pyrazol-1-yl)-3-fluorobenzoic acid

CAS Number:

1152868-20-6

Molecular Formula:

C12H11FN2O2

Molecular Weight:

234.2263

MDL Number:

MFCD11156568

IUPAC Name:

4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoic acid

InChI:

InChI=1S/C12H11FN2O2/c1-7-5-8(2)15(14-7)11-4-3-9(12(16)17)6-10(11)13/h3-6H,1-2H3,(H,16,17)

InChI Key:

BWDANXPJRCVMOB-UHFFFAOYSA-N

SMILES:

Cc1nn(c(c1)C)c1ccc(cc1F)C(=O)O

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.23g/mol

Monoisotopic Mass:

234.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3