Home Other Building Blocks 5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole

5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole

CAS No.:
892501-91-6
Catalog Number:
AG00425J
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
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Product Description
Catalog Number:
AG00425J
Chemical Name:
5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole
CAS Number:
892501-91-6
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
MDL Number:
MFCD09064955
IUPAC Name:
5-[2-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C10H9BrN2O/c1-7-12-10(14-13-7)9-5-3-2-4-8(9)6-11/h2-5H,6H2,1H3
InChI Key:
GTXIOLDSSMKRDR-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1c1onc(n1)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.99g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties