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

3-bromo-4,5-dihydro-1,2-oxazole-5-carbonitrile

CAS No.:
1241953-58-1
Catalog Number:
AG01BU0F
Molecular Formula:
C4H3BrN2O
Molecular Weight:
174.9834
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Product Description
Catalog Number:
AG01BU0F
Chemical Name:
3-bromo-4,5-dihydro-1,2-oxazole-5-carbonitrile
CAS Number:
1241953-58-1
Molecular Formula:
C4H3BrN2O
Molecular Weight:
174.9834
MDL Number:
MFCD26403775
IUPAC Name:
3-bromo-4,5-dihydro-1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C4H3BrN2O/c5-4-1-3(2-6)8-7-4/h3H,1H2
InChI Key:
OGAVYSBGTQNEPW-UHFFFAOYSA-N
SMILES:
BrC1=NOC(C1)C#N
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.943g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.985g/mol
Monoisotopic Mass:
173.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties