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87716-93-6 | Cyclohexane, 1-(2-bromoethyl)-2-(bromomethyl)-, trans-
CAS No: 87716-93-6 Catalog No: AG004N15 MDL No:
Product Description
Catalog Number:
AG004N15
Chemical Name:
Cyclohexane, 1-(2-bromoethyl)-2-(bromomethyl)-, trans-
CAS Number:
87716-93-6
Molecular Formula:
C9H16Br2
Molecular Weight:
284.0313
IUPAC Name:
(1S,2R)-1-(2-bromoethyl)-2-(bromomethyl)cyclohexane
InChI:
InChI=1S/C9H16Br2/c10-6-5-8-3-1-2-4-9(8)7-11/h8-9H,1-7H2/t8-,9-/m0/s1
InChI Key:
YPEODRJPUJXOCS-IUCAKERBSA-N
SMILES:
BrCC[C@@H]1CCCC[C@H]1CBr
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
283.96g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.035g/mol
Monoisotopic Mass:
281.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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