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898543-45-8 | (1R,2R,4R)-2-AZIDO-1-ISOPROPYL-4-METHYLCYCLOHEXANE
CAS No: 898543-45-8 Catalog No: AG003X33 MDL No:
Product Description
Catalog Number:
AG003X33
Chemical Name:
(1R,2R,4R)-2-AZIDO-1-ISOPROPYL-4-METHYLCYCLOHEXANE
CAS Number:
898543-45-8
Molecular Formula:
C10H19N3
Molecular Weight:
181.2780
IUPAC Name:
(1R,2R,4R)-2-azido-4-methyl-1-propan-2-ylcyclohexane
InChI:
InChI=1S/C10H19N3/c1-7(2)9-5-4-8(3)6-10(9)12-13-11/h7-10H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
InChI Key:
JWXCHQXAHQOURC-OPRDCNLKSA-N
SMILES:
[N-]=[N+]=N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
181.158g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.283g/mol
Monoisotopic Mass:
181.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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