Home Halogens methyl 5-(bromomethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

methyl 5-(bromomethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

CAS No.:
1423034-24-5
Catalog Number:
AG01A2LB
Molecular Formula:
C6H8BrNO3
Molecular Weight:
222.0366
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Product Description
Catalog Number:
AG01A2LB
Chemical Name:
methyl 5-(bromomethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CAS Number:
1423034-24-5
Molecular Formula:
C6H8BrNO3
Molecular Weight:
222.0366
MDL Number:
MFCD22628359
IUPAC Name:
methyl 5-(bromomethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C6H8BrNO3/c1-10-6(9)5-2-4(3-7)11-8-5/h4H,2-3H2,1H3
InChI Key:
RQMDBXDIAPHXMC-UHFFFAOYSA-N
SMILES:
COC(=O)C1=NOC(C1)CBr
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.969g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.038g/mol
Monoisotopic Mass:
220.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties