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1003992-13-9

1003992-13-9 | 4-(5-Amino-4-m-tolyl-pyrazol-1-yl)-benzoic acid

CAS No: 1003992-13-9 Catalog No: AG01F9P0 MDL No:

Product Description

Catalog Number:
AG01F9P0
Chemical Name:
4-(5-Amino-4-m-tolyl-pyrazol-1-yl)-benzoic acid
CAS Number:
1003992-13-9
Molecular Formula:
C17H15N3O2
Molecular Weight:
293.3199
IUPAC Name:
4-[5-amino-4-(3-methylphenyl)pyrazol-1-yl]benzoic acid
InChI:
InChI=1S/C17H15N3O2/c1-11-3-2-4-13(9-11)15-10-19-20(16(15)18)14-7-5-12(6-8-14)17(21)22/h2-10H,18H2,1H3,(H,21,22)
InChI Key:
VEAPLCFUWKBSPH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1cnn(c1N)c1ccc(cc1)C(=O)O

Properties

Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.116g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
293.326g/mol
Monoisotopic Mass:
293.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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