Name: Name:4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-imine
Brand: Angene
SKU: AG01AA0S
Rating: 90 (10 reviews)

4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-imine

CAS No.:

1365630-37-0

Catalog Number:

AG01AA0S

Molecular Formula:

C11H9ClF3N3

Molecular Weight:

275.6575

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Product Description

Catalog Number:

AG01AA0S

Chemical Name:

4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-imine

CAS Number:

1365630-37-0

Molecular Formula:

C11H9ClF3N3

Molecular Weight:

275.6575

MDL Number:

MFCD26143819

IUPAC Name:

4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-amine

InChI:

InChI=1S/C11H9ClF3N3/c1-18-10(16)8(9(17-18)11(13,14)15)6-2-4-7(12)5-3-6/h2-5H,16H2,1H3

InChI Key:

VQCZHBCAFWLDKX-UHFFFAOYSA-N

SMILES:

FC(c1[nH]n(c(=N)c1c1ccc(cc1)Cl)C)(F)F

Properties

Complexity:

292

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.659g/mol

Monoisotopic Mass:

275.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
4-(4-Chloro-phen-yl)-1-methyl-3-trifluoro-methyl-1H-pyrazol-5-amine.	Acta crystallographica. Section E, Structure reports online 20100901