Home Halogens methyl 3-bromo-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl 3-bromo-4,5-dihydro-1,2-oxazole-5-carboxylate

CAS No.:
127141-36-0
Catalog Number:
AG01AM48
Molecular Formula:
C5H6BrNO3
Molecular Weight:
208.0100
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Product Description
Catalog Number:
AG01AM48
Chemical Name:
methyl 3-bromo-4,5-dihydro-1,2-oxazole-5-carboxylate
CAS Number:
127141-36-0
Molecular Formula:
C5H6BrNO3
Molecular Weight:
208.0100
MDL Number:
MFCD25949336
IUPAC Name:
methyl 3-bromo-4,5-dihydro-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C5H6BrNO3/c1-9-5(8)3-2-4(6)7-10-3/h3H,2H2,1H3
InChI Key:
XAFMYTOTPSJMDE-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(=NO1)Br
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.953g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.011g/mol
Monoisotopic Mass:
206.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties