Name: Name:4-bromo-3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole
Brand: Angene
SKU: AG01DIEW
Rating: 90 (10 reviews)

4-bromo-3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole

CAS No.:

1329471-16-0

Catalog Number:

AG01DIEW

Molecular Formula:

C8H10BrF3N2

Molecular Weight:

271.0776

Catalog Number:

AG01DIEW

Chemical Name:

4-bromo-3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole

CAS Number:

1329471-16-0

Molecular Formula:

C8H10BrF3N2

Molecular Weight:

271.0776

MDL Number:

MFCD11869259

IUPAC Name:

4-bromo-3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole

InChI:

InChI=1S/C8H10BrF3N2/c1-7(2,3)5-4(9)6(14-13-5)8(10,11)12/h1-3H3,(H,13,14)

InChI Key:

AJSUQONSUOXPKI-UHFFFAOYSA-N

SMILES:

Brc1c([nH]nc1C(F)(F)F)C(C)(C)C

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.998g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.081g/mol

Monoisotopic Mass:

269.998g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5