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175135-31-6 | Benzenamine, 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CAS No: 175135-31-6 Catalog No: AG00206X MDL No:MFCD00052878
Product Description
Catalog Number:
AG00206X
Chemical Name:
Benzenamine, 2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-
CAS Number:
175135-31-6
Molecular Formula:
C15H12BrN3O2
Molecular Weight:
346.1787
MDL Number:
MFCD00052878
IUPAC Name:
2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]aniline
InChI:
InChI=1S/C15H12BrN3O2/c1-20-9-6-7-12(16)11(8-9)15-19-18-14(21-15)10-4-2-3-5-13(10)17/h2-8H,17H2,1H3
InChI Key:
LUEIKOBKCRYXBE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1nnc(o1)c1ccccc1N)Br
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.184g/mol
Monoisotopic Mass:
345.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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