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887591-25-5 | 2-BROMO-1-(3-MORPHOLIN-4-YL-PHENYL)-ETHANONE
CAS No: 887591-25-5 Catalog No: AG004D9Y MDL No:
Product Description
Catalog Number:
AG004D9Y
Chemical Name:
2-BROMO-1-(3-MORPHOLIN-4-YL-PHENYL)-ETHANONE
CAS Number:
887591-25-5
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
IUPAC Name:
2-bromo-1-(3-morpholin-4-ylphenyl)ethanone
InChI:
InChI=1S/C12H14BrNO2/c13-9-12(15)10-2-1-3-11(8-10)14-4-6-16-7-5-14/h1-3,8H,4-7,9H2
InChI Key:
QBHJWJCPRJNDCN-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc(c1)N1CCOCC1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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