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832713-79-8 | Phenol, 4-bromo-2-(5-isoxazolyl)-6-nitro-
CAS No: 832713-79-8 Catalog No: AG0056R1 MDL No:
Product Description
Catalog Number:
AG0056R1
Chemical Name:
Phenol, 4-bromo-2-(5-isoxazolyl)-6-nitro-
CAS Number:
832713-79-8
Molecular Formula:
C9H5BrN2O4
Molecular Weight:
285.0510
IUPAC Name:
4-bromo-2-nitro-6-(1,2-oxazol-5-yl)phenol
InChI:
InChI=1S/C9H5BrN2O4/c10-5-3-6(8-1-2-11-16-8)9(13)7(4-5)12(14)15/h1-4,13H
InChI Key:
ZWQCYJOPCDBSAU-UHFFFAOYSA-N
SMILES:
Brc1cc(c2ccno2)c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.943g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.053g/mol
Monoisotopic Mass:
283.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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