Home Halogens 2-(4-bromo-2-chlorophenyl)-2-methyloxirane

2-(4-bromo-2-chlorophenyl)-2-methyloxirane

CAS No.:
1557729-73-3
Catalog Number:
AG01AMX9
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
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Product Description
Catalog Number:
AG01AMX9
Chemical Name:
2-(4-bromo-2-chlorophenyl)-2-methyloxirane
CAS Number:
1557729-73-3
Molecular Formula:
C9H8BrClO
Molecular Weight:
247.5162
MDL Number:
MFCD24306094
IUPAC Name:
2-(4-bromo-2-chlorophenyl)-2-methyloxirane
InChI:
InChI=1S/C9H8BrClO/c1-9(5-12-9)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3
InChI Key:
XYISVUIHVXHIIC-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Cl)C1(C)CO1
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.945g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.516g/mol
Monoisotopic Mass:
245.945g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties