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114341-88-7 | 2-Oxazolidinone, 3-(2-bromo-1-oxopropyl)-4,4-dimethyl-
CAS No: 114341-88-7 Catalog No: AG000B40 MDL No:
Product Description
Catalog Number:
AG000B40
Chemical Name:
2-Oxazolidinone, 3-(2-bromo-1-oxopropyl)-4,4-dimethyl-
CAS Number:
114341-88-7
Molecular Formula:
C8H12BrNO3
Molecular Weight:
250.0898
IUPAC Name:
3-(2-bromopropanoyl)-4,4-dimethyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C8H12BrNO3/c1-5(9)6(11)10-7(12)13-4-8(10,2)3/h5H,4H2,1-3H3
InChI Key:
MCVHDVANTPAEAA-UHFFFAOYSA-N
SMILES:
O=C1OCC(N1C(=O)C(Br)C)(C)C
EC Number:
430-820-8
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.092g/mol
Monoisotopic Mass:
249g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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