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81461-92-9 | 2-Azetidinone, 1-[4-(iodomethyl)phenyl]-
CAS No: 81461-92-9 Catalog No: AG0052BS MDL No:
Product Description
Catalog Number:
AG0052BS
Chemical Name:
2-Azetidinone, 1-[4-(iodomethyl)phenyl]-
CAS Number:
81461-92-9
Molecular Formula:
C10H10INO
Molecular Weight:
287.0970
IUPAC Name:
1-[4-(iodomethyl)phenyl]azetidin-2-one
InChI:
InChI=1S/C10H10INO/c11-7-8-1-3-9(4-2-8)12-6-5-10(12)13/h1-4H,5-7H2
InChI Key:
ZOWVRXPJAPCONT-UHFFFAOYSA-N
SMILES:
ICc1ccc(cc1)N1CCC1=O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.1g/mol
Monoisotopic Mass:
286.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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