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114479-13-9 | 3-Buten-2-one, 3-bromo-4-(4-morpholinyl)-
CAS No: 114479-13-9 Catalog No: AG000EIB MDL No:
Product Description
Catalog Number:
AG000EIB
Chemical Name:
3-Buten-2-one, 3-bromo-4-(4-morpholinyl)-
CAS Number:
114479-13-9
Molecular Formula:
C8H12BrNO2
Molecular Weight:
234.0904
IUPAC Name:
3-bromo-4-morpholin-4-ylbut-3-en-2-one
InChI:
InChI=1S/C8H12BrNO2/c1-7(11)8(9)6-10-2-4-12-5-3-10/h6H,2-5H2,1H3
InChI Key:
BFQIKYRGTXUZGY-UHFFFAOYSA-N
SMILES:
BrC(=CN1CCOCC1)C(=O)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.093g/mol
Monoisotopic Mass:
233.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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