Home Halogens 2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole

2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole

CAS No.:
26114-48-7
Catalog Number:
AG01BU7K
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
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Product Description
Catalog Number:
AG01BU7K
Chemical Name:
2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole
CAS Number:
26114-48-7
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD24071901
IUPAC Name:
2-(bromomethyl)-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C9H7BrN2O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
VQGXSJJMMTUKKV-UHFFFAOYSA-N
SMILES:
BrCc1nnc(o1)c1ccccc1
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties