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89442-77-3 | 2-Propanone, 1-[5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizin-1-yl]-
CAS No: 89442-77-3 Catalog No: AG00437L MDL No:
Product Description
Catalog Number:
AG00437L
Chemical Name:
2-Propanone, 1-[5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizin-1-yl]-
CAS Number:
89442-77-3
Molecular Formula:
C17H16ClNO2
Molecular Weight:
301.7674
IUPAC Name:
1-[5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizin-1-yl]propan-2-one
InChI:
InChI=1S/C17H16ClNO2/c1-11(20)10-13-8-9-19-15(13)6-7-16(19)17(21)12-2-4-14(18)5-3-12/h2-7,13H,8-10H2,1H3
InChI Key:
FHLGBUNEAGCWME-UHFFFAOYSA-N
SMILES:
CC(=O)CC1CCn2c1ccc2C(=O)c1ccc(cc1)Cl
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.77g/mol
Monoisotopic Mass:
301.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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