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141938-49-0

141938-49-0 | 8-Oxabicyclo[3.2.1]oct-6-en-3-one, 2,4-dibromo-2-(1-methylethyl)-

CAS No: 141938-49-0 Catalog No: AG001HEZ MDL No:

Product Description

Catalog Number:
AG001HEZ
Chemical Name:
8-Oxabicyclo[3.2.1]oct-6-en-3-one, 2,4-dibromo-2-(1-methylethyl)-
CAS Number:
141938-49-0
Molecular Formula:
C10H12Br2O2
Molecular Weight:
324.0091
IUPAC Name:
2,4-dibromo-2-propan-2-yl-8-oxabicyclo[3.2.1]oct-6-en-3-one
InChI:
InChI=1S/C10H12Br2O2/c1-5(2)10(12)7-4-3-6(14-7)8(11)9(10)13/h3-8H,1-2H3
InChI Key:
CDIISVSETOHOGY-UHFFFAOYSA-N
SMILES:
BrC1C2C=CC(O2)C(C1=O)(Br)C(C)C

Properties

Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.918g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.012g/mol
Monoisotopic Mass:
321.92g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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