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210832-82-9 | Ethanone, 2,2-dibromo-1-[4-(4-morpholinyl)phenyl]-
CAS No: 210832-82-9 Catalog No: AG002L01 MDL No:
Product Description
Catalog Number:
AG002L01
Chemical Name:
Ethanone, 2,2-dibromo-1-[4-(4-morpholinyl)phenyl]-
CAS Number:
210832-82-9
Molecular Formula:
C12H13Br2NO2
Molecular Weight:
363.0451
IUPAC Name:
2,2-dibromo-1-(4-morpholin-4-ylphenyl)ethanone
InChI:
InChI=1S/C12H13Br2NO2/c13-12(14)11(16)9-1-3-10(4-2-9)15-5-7-17-8-6-15/h1-4,12H,5-8H2
InChI Key:
QXPUJNSXXOICAH-UHFFFAOYSA-N
SMILES:
BrC(C(=O)c1ccc(cc1)N1CCOCC1)Br
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.929g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.049g/mol
Monoisotopic Mass:
360.931g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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