Name: Name:Ethyl 2-(4-chloro-5-methyl-3-(trifluoromethyl);-1H-pyrazol-1-yl);acetate
Brand: Angene
SKU: AG00I6TN
Rating: 90 (10 reviews)

Ethyl 2-(4-chloro-5-methyl-3-(trifluoromethyl);-1H-pyrazol-1-yl);acetate

CAS No.:

345237-74-3

Catalog Number:

AG00I6TN

Molecular Formula:

C9H10ClF3N2O2

Molecular Weight:

270.6361

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Product Description

Catalog Number:

AG00I6TN

Chemical Name:

Ethyl 2-(4-chloro-5-methyl-3-(trifluoromethyl);-1H-pyrazol-1-yl);acetate

CAS Number:

345237-74-3

Molecular Formula:

C9H10ClF3N2O2

Molecular Weight:

270.6361

MDL Number:

MFCD01527957

IUPAC Name:

ethyl 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate

InChI:

InChI=1S/C9H10ClF3N2O2/c1-3-17-6(16)4-15-5(2)7(10)8(14-15)9(11,12)13/h3-4H2,1-2H3

InChI Key:

HUNTWKCKPLUKBV-UHFFFAOYSA-N

SMILES:

CCOC(=O)Cn1nc(c(c1C)Cl)C(F)(F)F

Properties

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.636g/mol

Monoisotopic Mass:

270.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties