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208519-10-2 | 1H-Pyrazol-3-amine, 5-(3,4-dichlorophenyl)-
CAS No: 208519-10-2 Catalog No: AG002JRA MDL No:MFCD02572047
Product Description
Catalog Number:
AG002JRA
Chemical Name:
1H-Pyrazol-3-amine, 5-(3,4-dichlorophenyl)-
CAS Number:
208519-10-2
Molecular Formula:
C9H7Cl2N3
Molecular Weight:
228.0780
MDL Number:
MFCD02572047
IUPAC Name:
5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
InChI:
InChI=1S/C9H7Cl2N3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
InChI Key:
YKEDJVVQHWJYBR-UHFFFAOYSA-N
SMILES:
Nc1n[nH]c(c1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.076g/mol
Monoisotopic Mass:
227.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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