Name: Name:2,2-difluoro-2-(1-methyl-1H-pyrazol-5-yl)acetic acid
Brand: Angene
SKU: AG01C75B
Rating: 90 (10 reviews)

2,2-difluoro-2-(1-methyl-1H-pyrazol-5-yl)acetic acid

CAS No.:

1342825-90-4

Catalog Number:

AG01C75B

Molecular Formula:

C6H6F2N2O2

Molecular Weight:

176.1208

Catalog Number:

AG01C75B

Chemical Name:

2,2-difluoro-2-(1-methyl-1H-pyrazol-5-yl)acetic acid

CAS Number:

1342825-90-4

Molecular Formula:

C6H6F2N2O2

Molecular Weight:

176.1208

MDL Number:

MFCD19620859

IUPAC Name:

2,2-difluoro-2-(2-methylpyrazol-3-yl)acetic acid

InChI:

InChI=1S/C6H6F2N2O2/c1-10-4(2-3-9-10)6(7,8)5(11)12/h2-3H,1H3,(H,11,12)

InChI Key:

JIYVSLKBNLNUDF-UHFFFAOYSA-N

SMILES:

OC(=O)C(c1ccnn1C)(F)F

Complexity:

198

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.123g/mol

Monoisotopic Mass:

176.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5