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Home Aminos Benzoic acid, 4-(5-amino-3-methyl-1H-pyrazol-1-yl)-

Benzoic acid, 4-(5-amino-3-methyl-1H-pyrazol-1-yl)-

CAS No.:
99844-15-2
Catalog Number:
AG01AO82
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
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1g
1 week
United States
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Product Description
Catalog Number:
AG01AO82
Chemical Name:
Benzoic acid, 4-(5-amino-3-methyl-1H-pyrazol-1-yl)-
CAS Number:
99844-15-2
MDL Number:
MFCD01605714
IUPAC Name:
4-(5-amino-3-methylpyrazol-1-yl)benzoic acid
InChI:
InChI=1S/C11H11N3O2/c1-7-6-10(12)14(13-7)9-4-2-8(3-5-9)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChI Key:
DNROOKGPZRAQNG-UHFFFAOYSA-N
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Three substituted 4-pyrazolylbenzoates: hydrogen-bonded supramolecular structures in one, two and three dimensions. Acta crystallographica. Section C, Crystal structure communications 20070101
Properties