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81777-91-5 | 3-Isoxazolidinone, 2-[(2-bromophenyl)methyl]-4,4-dimethyl-
CAS No: 81777-91-5 Catalog No: AG005I24 MDL No:
Product Description
Catalog Number:
AG005I24
Chemical Name:
3-Isoxazolidinone, 2-[(2-bromophenyl)methyl]-4,4-dimethyl-
CAS Number:
81777-91-5
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
IUPAC Name:
2-[(2-bromophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C12H14BrNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChI Key:
YQPIKUDPKJDPHS-UHFFFAOYSA-N
SMILES:
O=C1N(OCC1(C)C)Cc1ccccc1Br
Properties
Complexity:
280
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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