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114560-08-6 | Cyclohexane, 1,2-dibromo-4-(1,2-dibromopropyl)-
CAS No: 114560-08-6 Catalog No: AG000EO3 MDL No:
Product Description
Catalog Number:
AG000EO3
Chemical Name:
Cyclohexane, 1,2-dibromo-4-(1,2-dibromopropyl)-
CAS Number:
114560-08-6
Molecular Formula:
C9H14Br4
Molecular Weight:
441.8235
IUPAC Name:
1,2-dibromo-4-(1,2-dibromopropyl)cyclohexane
InChI:
InChI=1S/C9H14Br4/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h5-9H,2-4H2,1H3
InChI Key:
GBWKXPCFLWAUOQ-UHFFFAOYSA-N
SMILES:
CC(C(C1CCC(C(C1)Br)Br)Br)Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.779g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.827g/mol
Monoisotopic Mass:
437.783g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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