Home Halogens 3-Isoxazolol,4-bromo-(8CI)

3-Isoxazolol,4-bromo-(8CI)

CAS No.:
31561-94-1
Catalog Number:
AG00CZ5N
Molecular Formula:
C3H2BrNO2
Molecular Weight:
163.9575
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Product Description
Catalog Number:
AG00CZ5N
Chemical Name:
3-Isoxazolol,4-bromo-(8CI)
CAS Number:
31561-94-1
Molecular Formula:
C3H2BrNO2
Molecular Weight:
163.9575
MDL Number:
MFCD18818592
IUPAC Name:
4-bromo-1,2-oxazol-3-one
InChI:
InChI=1S/C3H2BrNO2/c4-2-1-7-5-3(2)6/h1H,(H,5,6)
InChI Key:
UMYDUNFWOVFVDO-UHFFFAOYSA-N
SMILES:
Brc1conc1O
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.927g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.958g/mol
Monoisotopic Mass:
162.927g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties