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1341539-96-5 | 2-Chloro-1-(3-dimethylamino-pyrrolidin-1-yl)-ethanone
CAS No: 1341539-96-5 Catalog No: AG01F88J MDL No:
Product Description
Catalog Number:
AG01F88J
Chemical Name:
2-Chloro-1-(3-dimethylamino-pyrrolidin-1-yl)-ethanone
CAS Number:
1341539-96-5
Molecular Formula:
C8H15ClN2O
Molecular Weight:
190.6705
IUPAC Name:
2-chloro-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
InChI:
InChI=1S/C8H15ClN2O/c1-10(2)7-3-4-11(6-7)8(12)5-9/h7H,3-6H2,1-2H3
InChI Key:
VDDICQAKICFEMX-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCC(C1)N(C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.671g/mol
Monoisotopic Mass:
190.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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