Name: Name:Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester
Brand: Angene
SKU: AG001ZQG
Rating: 90 (10 reviews)

Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester

CAS No.:

174514-07-9

Catalog Number:

AG001ZQG

Molecular Formula:

C15H12BrClF4N2O2

Molecular Weight:

443.6186

Catalog Number:

AG001ZQG

Chemical Name:

Benzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester

CAS Number:

174514-07-9

Molecular Formula:

C15H12BrClF4N2O2

Molecular Weight:

443.6186

MDL Number:

MFCD18252413

IUPAC Name:

propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate

InChI:

InChI=1S/C15H12BrClF4N2O2/c1-6(2)25-14(24)7-4-8(10(18)5-9(7)17)12-11(16)13(15(19,20)21)23(3)22-12/h4-6H,1-3H3

InChI Key:

FKLQIONHGSFYJY-UHFFFAOYSA-N

SMILES:

CC(OC(=O)c1cc(c(cc1Cl)F)c1nn(c(c1Br)C(F)(F)F)C)C

UNII:

KJX9P1E61K

Complexity:

497

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

441.971g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

443.621g/mol

Monoisotopic Mass:

441.971g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9