Home Halogens 1-(4-chloro-1H-pyrrole-2-carbonyl)piperazine

1-(4-chloro-1H-pyrrole-2-carbonyl)piperazine

CAS No.:
1042557-52-7
Catalog Number:
AG019UTU
Molecular Formula:
C9H12ClN3O
Molecular Weight:
213.6641
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Product Description
Catalog Number:
AG019UTU
Chemical Name:
1-(4-chloro-1H-pyrrole-2-carbonyl)piperazine
CAS Number:
1042557-52-7
Molecular Formula:
C9H12ClN3O
Molecular Weight:
213.6641
MDL Number:
MFCD11167893
IUPAC Name:
(4-chloro-1H-pyrrol-2-yl)-piperazin-1-ylmethanone
InChI:
InChI=1S/C9H12ClN3O/c10-7-5-8(12-6-7)9(14)13-3-1-11-2-4-13/h5-6,11-12H,1-4H2
InChI Key:
YSQAPAGISIYULT-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]cc(c1)Cl)N1CCNCC1
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.665g/mol
Monoisotopic Mass:
213.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties