Home Halogens 5-Isoxazolamine, 3-(2-bromophenyl)-

5-Isoxazolamine, 3-(2-bromophenyl)-

CAS No.:
119162-51-5
Catalog Number:
AG000I9Y
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
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Product Description
Catalog Number:
AG000I9Y
Chemical Name:
5-Isoxazolamine, 3-(2-bromophenyl)-
CAS Number:
119162-51-5
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD07383024
IUPAC Name:
3-(2-bromophenyl)-1,2-oxazol-5-amine
InChI:
InChI=1S/C9H7BrN2O/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,11H2
InChI Key:
IWZPUSFAARHNRW-UHFFFAOYSA-N
SMILES:
Nc1onc(c1)c1ccccc1Br
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties