Name: Name:1H-Pyrazole-4-carbonyl chloride, 1-(4-methoxyphenyl)-5-methyl-
Brand: Angene
SKU: AG0030U5
Rating: 90 (10 reviews)

1H-Pyrazole-4-carbonyl chloride, 1-(4-methoxyphenyl)-5-methyl-

CAS No.:

306934-94-1

Catalog Number:

AG0030U5

Molecular Formula:

C12H11ClN2O2

Molecular Weight:

250.6809

Catalog Number:

AG0030U5

Chemical Name:

1H-Pyrazole-4-carbonyl chloride, 1-(4-methoxyphenyl)-5-methyl-

CAS Number:

306934-94-1

Molecular Formula:

C12H11ClN2O2

Molecular Weight:

250.6809

MDL Number:

MFCD02681971

IUPAC Name:

1-(4-methoxyphenyl)-5-methylpyrazole-4-carbonyl chloride

InChI:

InChI=1S/C12H11ClN2O2/c1-8-11(12(13)16)7-14-15(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3

InChI Key:

BJGXXQTZIKOIGR-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)n1ncc(c1C)C(=O)Cl

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.682g/mol

Monoisotopic Mass:

250.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8