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16886-68-3 | Cyclohexanol, 2-bromo-, nitrate, trans- (8CI,9CI)
CAS No: 16886-68-3 Catalog No: AG001YCI MDL No:
Product Description
Catalog Number:
AG001YCI
Chemical Name:
Cyclohexanol, 2-bromo-, nitrate, trans- (8CI,9CI)
CAS Number:
16886-68-3
Molecular Formula:
C6H10BrNO3
Molecular Weight:
224.0525
IUPAC Name:
(2-bromocyclohexyl) nitrate
InChI:
InChI=1S/C6H10BrNO3/c7-5-3-1-2-4-6(5)11-8(9)10/h5-6H,1-4H2
InChI Key:
FZGAJVREXRKCDM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O[C@@H]1CCCC[C@H]1Br
NSC Number:
122933
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.054g/mol
Monoisotopic Mass:
222.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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