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5819-40-9 | 4-Bromo-5-methylisoxazol-3-amine
CAS No: 5819-40-9 Catalog No: AG003KZ0 MDL No:MFCD00052553
Product Description
Catalog Number:
AG003KZ0
Chemical Name:
4-Bromo-5-methylisoxazol-3-amine
CAS Number:
5819-40-9
Molecular Formula:
C4H5BrN2O
Molecular Weight:
176.9993
MDL Number:
MFCD00052553
IUPAC Name:
4-bromo-5-methyl-1,2-oxazol-3-amine
InChI:
InChI=1S/C4H5BrN2O/c1-2-3(5)4(6)7-8-2/h1H3,(H2,6,7)
InChI Key:
JEZOZNWEHSNXPQ-UHFFFAOYSA-N
SMILES:
Nc1noc(c1Br)C
Properties
Complexity:
90.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.959g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.001g/mol
Monoisotopic Mass:
175.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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