Name: Name:2-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID
Brand: Angene
SKU: AG00C1QG
Rating: 90 (10 reviews)

2-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID

CAS No.:

27363-77-5

Catalog Number:

AG00C1QG

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

Catalog Number:

AG00C1QG

Chemical Name:

2-(3,5-DIMETHYL-PYRAZOL-1-YL)-BENZOIC ACID

CAS Number:

27363-77-5

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

MDL Number:

MFCD06245567

IUPAC Name:

2-(3,5-dimethylpyrazol-1-yl)benzoic acid

InChI:

InChI=1S/C12H12N2O2/c1-8-7-9(2)14(13-8)11-6-4-3-5-10(11)12(15)16/h3-7H,1-2H3,(H,15,16)

InChI Key:

LTPVMKDDNQWFOG-UHFFFAOYSA-N

SMILES:

Cc1nn(c(c1)C)c1ccccc1C(=O)O

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.24g/mol

Monoisotopic Mass:

216.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2