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1025447-54-4 | 1H-Pyrazol-3-amine, 5-(4-fluorophenyl)-, hydrochloride (1:1)
CAS No: 1025447-54-4 Catalog No: AG0007OU MDL No:MFCD10565813
Product Description
Catalog Number:
AG0007OU
Chemical Name:
1H-Pyrazol-3-amine, 5-(4-fluorophenyl)-, hydrochloride (1:1)
CAS Number:
1025447-54-4
Molecular Formula:
C9H9ClFN3
Molecular Weight:
213.6393
MDL Number:
MFCD10565813
IUPAC Name:
5-(4-fluorophenyl)-1H-pyrazol-3-amine;hydrochloride
InChI:
InChI=1S/C9H8FN3.ClH/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8;/h1-5H,(H3,11,12,13);1H
InChI Key:
ZFMAUZVALWAKCZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1[nH]nc(c1)N.Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.64g/mol
Monoisotopic Mass:
213.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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