Home Halogens (3R,6S,7aS)-6-bromo-3-phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one

(3R,6S,7aS)-6-bromo-3-phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one

CAS No.:
176484-88-1
Catalog Number:
AG01DITJ
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$273
- +
Product Description
Catalog Number:
AG01DITJ
Chemical Name:
(3R,6S,7aS)-6-bromo-3-phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
CAS Number:
176484-88-1
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
MDL Number:
MFCD31731554
IUPAC Name:
(3R,6S,7aS)-6-bromo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
InChI:
InChI=1S/C12H12BrNO2/c13-10-6-9-7-16-12(14(9)11(10)15)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10-,12+/m0/s1
InChI Key:
UHAUKCUMZSWGEC-JBLDHEPKSA-N
SMILES:
Br[C@H]1C[C@@H]2N(C1=O)[C@H](OC2)c1ccccc1
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties