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205320-24-7 | 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, (2S)-
CAS No: 205320-24-7 Catalog No: AG002A05 MDL No:
Product Description
Catalog Number:
AG002A05
Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, (2S)-
CAS Number:
205320-24-7
Molecular Formula:
C8H9Br2NO3S
Molecular Weight:
359.0350
IUPAC Name:
6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChI:
InChI=1S/C8H9Br2NO3S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)15-7/h3,6H,1-2H3,(H,12,13)
InChI Key:
YLGIIVBDSLVWDR-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1N2C(=O)C(C2SC1(C)C)(Br)Br
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.865g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.032g/mol
Monoisotopic Mass:
356.867g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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