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1353948-15-8 | 2-Chloro-1-(3-methoxy-pyrrolidin-1-yl)-ethanone
CAS No: 1353948-15-8 Catalog No: AG01F9TE MDL No:
Product Description
Catalog Number:
AG01F9TE
Chemical Name:
2-Chloro-1-(3-methoxy-pyrrolidin-1-yl)-ethanone
CAS Number:
1353948-15-8
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
IUPAC Name:
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
InChI:
InChI=1S/C7H12ClNO2/c1-11-6-2-3-9(5-6)7(10)4-8/h6H,2-5H2,1H3
InChI Key:
QXNSGDXTYRKLDM-UHFFFAOYSA-N
SMILES:
COC1CCN(C1)C(=O)CCl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.628g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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