Name: Name:5-((4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carboxylic acid
Brand: Angene
SKU: AG00JDB9
Rating: 90 (10 reviews)

5-((4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carboxylic acid

CAS No.:

312310-61-5

Catalog Number:

AG00JDB9

Molecular Formula:

C11H11ClN2O3

Molecular Weight:

254.6696

Catalog Number:

AG00JDB9

Chemical Name:

5-((4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carboxylic acid

CAS Number:

312310-61-5

Molecular Formula:

C11H11ClN2O3

Molecular Weight:

254.6696

MDL Number:

MFCD01858974

IUPAC Name:

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid

InChI:

InChI=1S/C11H11ClN2O3/c1-6-10(12)7(2)14(13-6)5-8-3-4-9(17-8)11(15)16/h3-4H,5H2,1-2H3,(H,15,16)

InChI Key:

CLZYAKOJMOCPJY-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(o1)Cn1nc(c(c1C)Cl)C

Complexity:

302

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.67g/mol

Monoisotopic Mass:

254.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2