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29666-53-3 | 2,5-Cyclohexadiene-1,4-dione, 2,3,5-tribromo-6-methyl-
CAS No: 29666-53-3 Catalog No: AG002Z1F MDL No:
Product Description
Catalog Number:
AG002Z1F
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,3,5-tribromo-6-methyl-
CAS Number:
29666-53-3
Molecular Formula:
C7H3Br3O2
Molecular Weight:
358.8095
IUPAC Name:
2,3,5-tribromo-6-methylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C7H3Br3O2/c1-2-3(8)7(12)5(10)4(9)6(2)11/h1H3
InChI Key:
IYZIBLPUKMYISP-UHFFFAOYSA-N
SMILES:
O=C1C(=C(Br)C(=O)C(=C1Br)Br)C
NSC Number:
145423
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.766g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.811g/mol
Monoisotopic Mass:
355.768g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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