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116239-68-0 | 1,2-Cycloheptanedione, 3,7-dibromo-4-(1-methylethyl)-
CAS No: 116239-68-0 Catalog No: AG000C0K MDL No:
Product Description
Catalog Number:
AG000C0K
Chemical Name:
1,2-Cycloheptanedione, 3,7-dibromo-4-(1-methylethyl)-
CAS Number:
116239-68-0
Molecular Formula:
C10H14Br2O2
Molecular Weight:
326.0250
IUPAC Name:
3,7-dibromo-4-propan-2-ylcycloheptane-1,2-dione
InChI:
InChI=1S/C10H14Br2O2/c1-5(2)6-3-4-7(11)9(13)10(14)8(6)12/h5-8H,3-4H2,1-2H3
InChI Key:
BINROQIOMCSSFH-UHFFFAOYSA-N
SMILES:
CC(C1CCC(C(=O)C(=O)C1Br)Br)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.934g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.028g/mol
Monoisotopic Mass:
323.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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