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1269228-76-3 | Methanone, 1-piperazinyl-1H-pyrrol-2-yl-, hydrochloride (1:1)
CAS No: 1269228-76-3 Catalog No: AG000THK MDL No:MFCD18483535
Product Description
Catalog Number:
AG000THK
Chemical Name:
Methanone, 1-piperazinyl-1H-pyrrol-2-yl-, hydrochloride (1:1)
CAS Number:
1269228-76-3
Molecular Formula:
C9H14ClN3O
Molecular Weight:
215.6800
MDL Number:
MFCD18483535
IUPAC Name:
piperazin-1-yl(1H-pyrrol-2-yl)methanone;hydrochloride
InChI:
InChI=1S/C9H13N3O.ClH/c13-9(8-2-1-3-11-8)12-6-4-10-5-7-12;/h1-3,10-11H,4-7H2;1H
InChI Key:
RPFRHWJEQFWROW-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1N1CCNCC1.Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.681g/mol
Monoisotopic Mass:
215.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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