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831191-88-9 | Cyclohexane, 1-azido-2-methyl-, (1S,2S)-
CAS No: 831191-88-9 Catalog No: AG0051KB MDL No:
Product Description
Catalog Number:
AG0051KB
Chemical Name:
Cyclohexane, 1-azido-2-methyl-, (1S,2S)-
CAS Number:
831191-88-9
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
IUPAC Name:
(1S,2S)-1-azido-2-methylcyclohexane
InChI:
InChI=1S/C7H13N3/c1-6-4-2-3-5-7(6)9-10-8/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChI Key:
IHVGIZNAOSKZLB-BQBZGAKWSA-N
SMILES:
[N-]=[N+]=N[C@H]1CCCC[C@@H]1C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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