Name: Name:4-methyl-3-(1-methyl-1H-pyrazol-4-yl)benzoic acid hydrochloride
Brand: Angene
SKU: AG01BRFR
Rating: 90 (10 reviews)

4-methyl-3-(1-methyl-1H-pyrazol-4-yl)benzoic acid hydrochloride

CAS No.:

2060006-85-9

Catalog Number:

AG01BRFR

Molecular Formula:

C12H13ClN2O2

Molecular Weight:

252.6968

Catalog Number:

AG01BRFR

Chemical Name:

4-methyl-3-(1-methyl-1H-pyrazol-4-yl)benzoic acid hydrochloride

CAS Number:

2060006-85-9

Molecular Formula:

C12H13ClN2O2

Molecular Weight:

252.6968

MDL Number:

MFCD30535705

IUPAC Name:

4-methyl-3-(1-methylpyrazol-4-yl)benzoic acid;hydrochloride

InChI:

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

InChI Key:

LPOMSYMGANPXKE-UHFFFAOYSA-N

SMILES:

Cn1ncc(c1)c1cc(ccc1C)C(=O)O.Cl

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.698g/mol

Monoisotopic Mass:

252.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: