Name: Name:2-METHYL-3-(5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-PROPIONIC ACID
Brand: Angene
SKU: AG008XHQ
Rating: 90 (10 reviews)

2-METHYL-3-(5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-PROPIONIC ACID

CAS No.:

1005629-50-4

Catalog Number:

AG008XHQ

Molecular Formula:

C9H11F3N2O2

Molecular Weight:

236.1910

Catalog Number:

AG008XHQ

Chemical Name:

2-METHYL-3-(5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-PROPIONIC ACID

CAS Number:

1005629-50-4

Molecular Formula:

C9H11F3N2O2

Molecular Weight:

236.1910

MDL Number:

MFCD04967209

IUPAC Name:

2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

InChI:

InChI=1S/C9H11F3N2O2/c1-5(8(15)16)4-14-6(2)3-7(13-14)9(10,11)12/h3,5H,4H2,1-2H3,(H,15,16)

InChI Key:

XPHVOMAZLMVCFI-UHFFFAOYSA-N

SMILES:

CC(C(=O)O)Cn1nc(cc1C)C(F)(F)F

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.194g/mol

Monoisotopic Mass:

236.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6