Name: Name:1-tert-butyl-3-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AGQ4
Rating: 90 (10 reviews)

1-tert-butyl-3-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1152932-89-2

Catalog Number:

AG01AGQ4

Molecular Formula:

C14H15ClN2O2

Molecular Weight:

278.7341

Catalog Number:

AG01AGQ4

Chemical Name:

1-tert-butyl-3-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1152932-89-2

Molecular Formula:

C14H15ClN2O2

Molecular Weight:

278.7341

MDL Number:

MFCD10695982

IUPAC Name:

1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C14H15ClN2O2/c1-14(2,3)17-8-10(13(18)19)12(16-17)9-6-4-5-7-11(9)15/h4-8H,1-3H3,(H,18,19)

InChI Key:

NMTCBXWSDNRERC-UHFFFAOYSA-N

SMILES:

OC(=O)c1cn(nc1c1ccccc1Cl)C(C)(C)C

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.736g/mol

Monoisotopic Mass:

278.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9