Name: Name:2-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
Brand: Angene
SKU: AG019NEI
Rating: 90 (10 reviews)

2-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS No.:

926265-54-5

Catalog Number:

AG019NEI

Molecular Formula:

C14H15ClN2O2

Molecular Weight:

278.7341

Catalog Number:

AG019NEI

Chemical Name:

2-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS Number:

926265-54-5

Molecular Formula:

C14H15ClN2O2

Molecular Weight:

278.7341

MDL Number:

MFCD09044278

IUPAC Name:

2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid

InChI:

InChI=1S/C14H15ClN2O2/c1-8-4-5-11(6-13(8)15)17-10(3)12(7-14(18)19)9(2)16-17/h4-6H,7H2,1-3H3,(H,18,19)

InChI Key:

BGPVEEYVOYVYOZ-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1c(C)nn(c1C)c1ccc(c(c1)Cl)C

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.736g/mol

Monoisotopic Mass:

278.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1