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10050-12-1 | 3H-Pyrazol-3-one, 5-amino-2-(4-chlorophenyl)-2,4-dihydro-
CAS No: 10050-12-1 Catalog No: AG00026G MDL No:MFCD00460141
Product Description
Catalog Number:
AG00026G
Chemical Name:
3H-Pyrazol-3-one, 5-amino-2-(4-chlorophenyl)-2,4-dihydro-
CAS Number:
10050-12-1
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
MDL Number:
MFCD00460141
IUPAC Name:
5-amino-2-(4-chlorophenyl)-4H-pyrazol-3-one
InChI:
InChI=1S/C9H8ClN3O/c10-6-1-3-7(4-2-6)13-9(14)5-8(11)12-13/h1-4H,5H2,(H2,11,12)
InChI Key:
PRURDYUNBXAKRX-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN1c1ccc(cc1)Cl)N
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.633g/mol
Monoisotopic Mass:
209.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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