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87532-81-8 | Acetic acid, bromo-, 2-oxo-3-phenyl-3-piperidinyl ester
CAS No: 87532-81-8 Catalog No: AG004HA2 MDL No:
Product Description
Catalog Number:
AG004HA2
Chemical Name:
Acetic acid, bromo-, 2-oxo-3-phenyl-3-piperidinyl ester
CAS Number:
87532-81-8
Molecular Formula:
C13H14BrNO3
Molecular Weight:
312.1592
IUPAC Name:
(2-oxo-3-phenylpiperidin-3-yl) 2-bromoacetate
InChI:
InChI=1S/C13H14BrNO3/c14-9-11(16)18-13(7-4-8-15-12(13)17)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,17)
InChI Key:
PLNQTUQJGUVKGO-UHFFFAOYSA-N
SMILES:
BrCC(=O)OC1(CCCNC1=O)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.163g/mol
Monoisotopic Mass:
311.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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