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1354017-99-4 | 1-[(2S)-2-(iodomethyl)pyrrolidin-1-yl]ethan-1-one
CAS No: 1354017-99-4 Catalog No: AG00P72Z MDL No:MFCD21097880
Product Description
Catalog Number:
AG00P72Z
Chemical Name:
1-[(2S)-2-(iodomethyl)pyrrolidin-1-yl]ethan-1-one
CAS Number:
1354017-99-4
Molecular Formula:
C7H12INO
Molecular Weight:
253.0808
MDL Number:
MFCD21097880
IUPAC Name:
1-[(2S)-2-(iodomethyl)pyrrolidin-1-yl]ethanone
InChI:
InChI=1S/C7H12INO/c1-6(10)9-4-2-3-7(9)5-8/h7H,2-5H2,1H3/t7-/m0/s1
InChI Key:
FQWFOHPCOJNRHA-ZETCQYMHSA-N
SMILES:
IC[C@@H]1CCCN1C(=O)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.083g/mol
Monoisotopic Mass:
252.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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