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78164-40-6 | Oxazole,4-(4-bromophenyl)-2-methyl-5-nitro-
CAS No: 78164-40-6 Catalog No: AG0054SV MDL No:
Product Description
Catalog Number:
AG0054SV
Chemical Name:
Oxazole,4-(4-bromophenyl)-2-methyl-5-nitro-
CAS Number:
78164-40-6
Molecular Formula:
C10H7BrN2O3
Molecular Weight:
283.0782
IUPAC Name:
4-(4-bromophenyl)-2-methyl-5-nitro-1,3-oxazole
InChI:
InChI=1S/C10H7BrN2O3/c1-6-12-9(10(16-6)13(14)15)7-2-4-8(11)5-3-7/h2-5H,1H3
InChI Key:
FZEZSAYAMCCVHV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nc(oc1[N+](=O)[O-])C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.081g/mol
Monoisotopic Mass:
281.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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