Name: Name:4-[4-(3-chloroprop-1-yn-1-yl)phenoxymethyl]-1-methyl-1Н-pyrazole
Brand: Angene
SKU: AG01DV1A
Rating: 90 (10 reviews)

4-[4-(3-chloroprop-1-yn-1-yl)phenoxymethyl]-1-methyl-1Н-pyrazole

CAS No.:

1178208-11-1

Catalog Number:

AG01DV1A

Molecular Formula:

C14H13ClN2O

Molecular Weight:

260.7188

Catalog Number:

AG01DV1A

Chemical Name:

4-[4-(3-chloroprop-1-yn-1-yl)phenoxymethyl]-1-methyl-1Н-pyrazole

CAS Number:

1178208-11-1

Molecular Formula:

C14H13ClN2O

Molecular Weight:

260.7188

MDL Number:

MFCD12521222

IUPAC Name:

4-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]-1-methylpyrazole

InChI:

InChI=1S/C14H13ClN2O/c1-17-10-13(9-16-17)11-18-14-6-4-12(5-7-14)3-2-8-15/h4-7,9-10H,8,11H2,1H3

InChI Key:

XLMIYDCRMVKXEY-UHFFFAOYSA-N

SMILES:

ClCC#Cc1ccc(cc1)OCc1cnn(c1)C

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.721g/mol

Monoisotopic Mass:

260.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5