Home Aminos 3-amino-4-(1H-pyrazol-1-yl)benzoic acid

3-amino-4-(1H-pyrazol-1-yl)benzoic acid

CAS No.:
1178121-29-3
Catalog Number:
AG01DJ7C
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
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Product Description
Catalog Number:
AG01DJ7C
Chemical Name:
3-amino-4-(1H-pyrazol-1-yl)benzoic acid
CAS Number:
1178121-29-3
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD12816505
IUPAC Name:
3-amino-4-pyrazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H9N3O2/c11-8-6-7(10(14)15)2-3-9(8)13-5-1-4-12-13/h1-6H,11H2,(H,14,15)
InChI Key:
SGFZFSLNHYZZKV-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1n1cccn1)C(=O)O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties