Name: Name:5-[(4-Chloro-1h-pyrazol-1-yl)methyl]furan-2-carboxylic acid
Brand: Angene
SKU: AG00BEDK
Rating: 90 (10 reviews)

5-[(4-Chloro-1h-pyrazol-1-yl)methyl]furan-2-carboxylic acid

CAS No.:

312309-03-8

Catalog Number:

AG00BEDK

Molecular Formula:

C9H7ClN2O3

Molecular Weight:

226.6165

Catalog Number:

AG00BEDK

Chemical Name:

5-[(4-Chloro-1h-pyrazol-1-yl)methyl]furan-2-carboxylic acid

CAS Number:

312309-03-8

Molecular Formula:

C9H7ClN2O3

Molecular Weight:

226.6165

MDL Number:

MFCD01852387

IUPAC Name:

5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylic acid

InChI:

InChI=1S/C9H7ClN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)

InChI Key:

FTDBLLSABPDLMJ-UHFFFAOYSA-N

SMILES:

Clc1cnn(c1)Cc1ccc(o1)C(=O)O

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.616g/mol

Monoisotopic Mass:

226.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4