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102260-53-7 | 2,5-Cyclohexadien-1-one, 4-bromo-4-ethyl-
CAS No: 102260-53-7 Catalog No: AG00072A MDL No:
Product Description
Catalog Number:
AG00072A
Chemical Name:
2,5-Cyclohexadien-1-one, 4-bromo-4-ethyl-
CAS Number:
102260-53-7
Molecular Formula:
C8H9BrO
Molecular Weight:
201.0605
IUPAC Name:
4-bromo-4-ethylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C8H9BrO/c1-2-8(9)5-3-7(10)4-6-8/h3-6H,2H2,1H3
InChI Key:
RGZIARRKZQEAPK-UHFFFAOYSA-N
SMILES:
CCC1(Br)C=CC(=O)C=C1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.063g/mol
Monoisotopic Mass:
199.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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