Home Halogens 5-Isoxazolemethanamine, 3-bromo-

5-Isoxazolemethanamine, 3-bromo-

CAS No.:
2763-93-1
Catalog Number:
AG002UAO
Molecular Formula:
C4H5BrN2O
Molecular Weight:
176.9993
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Product Description
Catalog Number:
AG002UAO
Chemical Name:
5-Isoxazolemethanamine, 3-bromo-
CAS Number:
2763-93-1
Molecular Formula:
C4H5BrN2O
Molecular Weight:
176.9993
MDL Number:
MFCD02181048
IUPAC Name:
(3-bromo-1,2-oxazol-5-yl)methanamine
InChI:
InChI=1S/C4H5BrN2O/c5-4-1-3(2-6)8-7-4/h1H,2,6H2
InChI Key:
LCFSQWLCIUITOH-UHFFFAOYSA-N
SMILES:
NCc1cc(no1)Br
Properties
Complexity:
80.4  
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:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties