Name: Name:2-(4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acid
Brand: Angene
SKU: AG00910K
Rating: 90 (10 reviews)

2-(4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acid

CAS No.:

1005584-44-0

Catalog Number:

AG00910K

Molecular Formula:

C8H8BrF3N2O2

Molecular Weight:

301.0605

Catalog Number:

AG00910K

Chemical Name:

2-(4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acid

CAS Number:

1005584-44-0

Molecular Formula:

C8H8BrF3N2O2

Molecular Weight:

301.0605

MDL Number:

MFCD03419689

IUPAC Name:

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

InChI:

InChI=1S/C8H8BrF3N2O2/c1-3-5(9)6(8(10,11)12)13-14(3)4(2)7(15)16/h4H,1-2H3,(H,15,16)

InChI Key:

DJOJMQVILNQNNZ-UHFFFAOYSA-N

SMILES:

OC(=O)C(n1nc(c(c1C)Br)C(F)(F)F)C

Complexity:

287

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.972g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.063g/mol

Monoisotopic Mass:

299.972g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3