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125981-24-0

125981-24-0 | 1-Pyrazolidinecarbonyl chloride, 2-(4-methoxyphenyl)-5-oxo-

CAS No: 125981-24-0 Catalog No: AG000QMM MDL No:

Product Description

Catalog Number:
AG000QMM
Chemical Name:
1-Pyrazolidinecarbonyl chloride, 2-(4-methoxyphenyl)-5-oxo-
CAS Number:
125981-24-0
Molecular Formula:
C11H11ClN2O3
Molecular Weight:
254.6696
IUPAC Name:
2-(4-methoxyphenyl)-5-oxopyrazolidine-1-carbonyl chloride
InChI:
InChI=1S/C11H11ClN2O3/c1-17-9-4-2-8(3-5-9)13-7-6-10(15)14(13)11(12)16/h2-5H,6-7H2,1H3
InChI Key:
WUZULCJXEIKJEJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCC(=O)N1C(=O)Cl

Properties

Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.046g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.67g/mol
Monoisotopic Mass:
254.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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