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Home > Bromides > 1033201-86-3
1033201-86-3 | 5-Benzyl-3-(2-bromophenyl);-1,2,4-oxadiazole
CAS No: 1033201-86-3 Catalog No: AG003MF0 MDL No:MFCD10699653
Product Description
Catalog Number:
AG003MF0
Chemical Name:
5-Benzyl-3-(2-bromophenyl);-1,2,4-oxadiazole
CAS Number:
1033201-86-3
Molecular Formula:
C15H11BrN2O
Molecular Weight:
315.1646
MDL Number:
MFCD10699653
IUPAC Name:
5-benzyl-3-(2-bromophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C15H11BrN2O/c16-13-9-5-4-8-12(13)15-17-14(19-18-15)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
LPXBFTYWZLFFBZ-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1noc(n1)Cc1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.17g/mol
Monoisotopic Mass:
314.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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