Name: Name:3-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AFZ4
Rating: 90 (10 reviews)

3-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1155045-53-6

Catalog Number:

AG01AFZ4

Molecular Formula:

C8H5ClN2O2S

Molecular Weight:

228.6555

Catalog Number:

AG01AFZ4

Chemical Name:

3-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1155045-53-6

Molecular Formula:

C8H5ClN2O2S

Molecular Weight:

228.6555

MDL Number:

MFCD12170313

IUPAC Name:

5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H5ClN2O2S/c9-6-2-1-5(14-6)7-4(8(12)13)3-10-11-7/h1-3H,(H,10,11)(H,12,13)

InChI Key:

TXZMKULDVPYEGO-UHFFFAOYSA-N

SMILES:

Clc1ccc(s1)c1n[nH]cc1C(=O)O

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.976g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.65g/mol

Monoisotopic Mass:

227.976g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1