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89214-52-8 | 1,2,4-Oxadiazole, 5-(1-bromoethyl)-3-methyl-
CAS No: 89214-52-8 Catalog No: AG00463R MDL No:
Product Description
Catalog Number:
AG00463R
Chemical Name:
1,2,4-Oxadiazole, 5-(1-bromoethyl)-3-methyl-
CAS Number:
89214-52-8
Molecular Formula:
C5H7BrN2O
Molecular Weight:
191.0259
IUPAC Name:
5-(1-bromoethyl)-3-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C5H7BrN2O/c1-3(6)5-7-4(2)8-9-5/h3H,1-2H3
InChI Key:
YEQALRAKHGXSMH-UHFFFAOYSA-N
SMILES:
Cc1noc(n1)C(Br)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.974g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.028g/mol
Monoisotopic Mass:
189.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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