Home Halogens 1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}-2-bromoethan-1-one

1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}-2-bromoethan-1-one

CAS No.:
1499640-27-5
Catalog Number:
AG01BHCK
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
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Product Description
Catalog Number:
AG01BHCK
Chemical Name:
1-{bicyclo[4.2.0]octa-1,3,5-trien-7-yl}-2-bromoethan-1-one
CAS Number:
1499640-27-5
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
MDL Number:
MFCD23845004
IUPAC Name:
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-bromoethanone
InChI:
InChI=1S/C10H9BrO/c11-6-10(12)9-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2
InChI Key:
KBVDAYGTADMCGK-UHFFFAOYSA-N
SMILES:
BrCC(=O)C1Cc2c1cccc2
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.984g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.085g/mol
Monoisotopic Mass:
223.984g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties