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127232-42-2 | Oxazole, 5-(bromomethyl)-
CAS No: 127232-42-2 Catalog No: AG000WS4 MDL No:
Product Description
Catalog Number:
AG000WS4
Chemical Name:
Oxazole, 5-(bromomethyl)-
CAS Number:
127232-42-2
Molecular Formula:
C4H4BrNO
Molecular Weight:
161.9847
IUPAC Name:
5-(bromomethyl)-1,3-oxazole
InChI:
InChI=1S/C4H4BrNO/c5-1-4-2-6-3-7-4/h2-3H,1H2
InChI Key:
GFDMJZUHSLWFNE-UHFFFAOYSA-N
SMILES:
BrCc1cnco1
Properties
Complexity:
59.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.948g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.986g/mol
Monoisotopic Mass:
160.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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