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16052-42-9 | Cyclohexane, 2-chloro-4-methyl-1-(1-methylethyl)-, (1S,2R,4R)-
CAS No: 16052-42-9 Catalog No: AG001RZJ MDL No:MFCD00001481
Product Description
Catalog Number:
AG001RZJ
Chemical Name:
Cyclohexane, 2-chloro-4-methyl-1-(1-methylethyl)-, (1S,2R,4R)-
CAS Number:
16052-42-9
Molecular Formula:
C10H19Cl
Molecular Weight:
174.7109
MDL Number:
MFCD00001481
IUPAC Name:
(1S,2R,4R)-2-chloro-4-methyl-1-propan-2-ylcyclohexane
InChI:
InChI=1S/C10H19Cl/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChI Key:
OMLOJNNKKPNVKN-KXUCPTDWSA-N
SMILES:
C[C@@H]1CC[C@H]([C@@H](C1)Cl)C(C)C
EC Number:
240-200-7
NSC Number:
55430
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
174.118g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.712g/mol
Monoisotopic Mass:
174.118g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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