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177785-12-5 | Ethanone, 2-bromo-1-(4-thiomorpholinyl)-
CAS No: 177785-12-5 Catalog No: AG0025JI MDL No:
Product Description
Catalog Number:
AG0025JI
Chemical Name:
Ethanone, 2-bromo-1-(4-thiomorpholinyl)-
CAS Number:
177785-12-5
Molecular Formula:
C6H10BrNOS
Molecular Weight:
224.1187
IUPAC Name:
2-bromo-1-thiomorpholin-4-ylethanone
InChI:
InChI=1S/C6H10BrNOS/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
InChI Key:
QCSRXPNQSKEIOB-UHFFFAOYSA-N
SMILES:
BrCC(=O)N1CCSCC1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.967g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.116g/mol
Monoisotopic Mass:
222.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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