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16004-91-4 | 2-Cyclohexen-1-one, 4-bromo-3,5,5-trimethyl-
CAS No: 16004-91-4 Catalog No: AG001RNG MDL No:
Product Description
Catalog Number:
AG001RNG
Chemical Name:
2-Cyclohexen-1-one, 4-bromo-3,5,5-trimethyl-
CAS Number:
16004-91-4
Molecular Formula:
C9H13BrO
Molecular Weight:
217.1029
IUPAC Name:
4-bromo-3,5,5-trimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C9H13BrO/c1-6-4-7(11)5-9(2,3)8(6)10/h4,8H,5H2,1-3H3
InChI Key:
IZIVVHDGGASIQV-UHFFFAOYSA-N
SMILES:
O=C1C=C(C)C(C(C1)(C)C)Br
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.106g/mol
Monoisotopic Mass:
216.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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