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144369-85-7 | 2-Azetidinone, 3-(3-bromopropyl)-1-(phenylmethyl)-
CAS No: 144369-85-7 Catalog No: AG001JF5 MDL No:
Product Description
Catalog Number:
AG001JF5
Chemical Name:
2-Azetidinone, 3-(3-bromopropyl)-1-(phenylmethyl)-
CAS Number:
144369-85-7
Molecular Formula:
C13H16BrNO
Molecular Weight:
282.1762
IUPAC Name:
1-benzyl-3-(3-bromopropyl)azetidin-2-one
InChI:
InChI=1S/C13H16BrNO/c14-8-4-7-12-10-15(13(12)16)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChI Key:
HPJKXLCAGFBEHE-UHFFFAOYSA-N
SMILES:
BrCCCC1CN(C1=O)Cc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.181g/mol
Monoisotopic Mass:
281.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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