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Home Halogens 6-bromo-8-chloro-3,4-dihydro-2H-1-benzopyran-4-one

6-bromo-8-chloro-3,4-dihydro-2H-1-benzopyran-4-one

CAS No.:
81258-18-6
Catalog Number:
AG019X18
Molecular Formula:
C9H6BrClO2
Molecular Weight:
261.4997
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Product Description
Catalog Number:
AG019X18
Chemical Name:
6-bromo-8-chloro-3,4-dihydro-2H-1-benzopyran-4-one
CAS Number:
81258-18-6
Molecular Formula:
C9H6BrClO2
Molecular Weight:
261.4997
MDL Number:
MFCD11207539
IUPAC Name:
6-bromo-8-chloro-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H6BrClO2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4H,1-2H2
InChI Key:
UEJCJIOQDWYWQY-UHFFFAOYSA-N
SMILES:
Brc1cc(Cl)c2c(c1)C(=O)CCO2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.924g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.499g/mol
Monoisotopic Mass:
259.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties