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166964-06-3 | 5-Isoxazolamine, 4-bromo-3-(1,1-dimethylethyl)-
CAS No: 166964-06-3 Catalog No: AG001X1M MDL No:
Product Description
Catalog Number:
AG001X1M
Chemical Name:
5-Isoxazolamine, 4-bromo-3-(1,1-dimethylethyl)-
CAS Number:
166964-06-3
Molecular Formula:
C7H11BrN2O
Molecular Weight:
219.0790
IUPAC Name:
4-bromo-3-tert-butyl-1,2-oxazol-5-amine
InChI:
InChI=1S/C7H11BrN2O/c1-7(2,3)5-4(8)6(9)11-10-5/h9H2,1-3H3
InChI Key:
MWTGYPARUJPSRN-UHFFFAOYSA-N
SMILES:
Nc1onc(c1Br)C(C)(C)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.005g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.082g/mol
Monoisotopic Mass:
218.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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