Name: Name:1-(TERT-BUTYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
Brand: Angene
SKU: AG007KMK
Rating: 90 (10 reviews)

1-(TERT-BUTYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

CAS No.:

142818-02-8

Catalog Number:

AG007KMK

Molecular Formula:

C9H11F3N2O2

Molecular Weight:

236.1910

Catalog Number:

AG007KMK

Chemical Name:

1-(TERT-BUTYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

CAS Number:

142818-02-8

Molecular Formula:

C9H11F3N2O2

Molecular Weight:

236.1910

MDL Number:

MFCD04124379

IUPAC Name:

1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C9H11F3N2O2/c1-8(2,3)14-6(9(10,11)12)5(4-13-14)7(15)16/h4H,1-3H3,(H,15,16)

InChI Key:

LBPZUNLSYYEDFB-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn(c1C(F)(F)F)C(C)(C)C

Complexity:

286

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