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921770-61-8 | Cyclohexanone, 2-chloro-3-ethyl-, (2S,3R)-
CAS No: 921770-61-8 Catalog No: AG006GKM MDL No:
Product Description
Catalog Number:
AG006GKM
Chemical Name:
Cyclohexanone, 2-chloro-3-ethyl-, (2S,3R)-
CAS Number:
921770-61-8
Molecular Formula:
C8H13ClO
Molecular Weight:
160.6412
IUPAC Name:
(2S,3R)-2-chloro-3-ethylcyclohexan-1-one
InChI:
InChI=1S/C8H13ClO/c1-2-6-4-3-5-7(10)8(6)9/h6,8H,2-5H2,1H3/t6-,8+/m1/s1
InChI Key:
XUSVOHQLCMTGQO-SVRRBLITSA-N
SMILES:
CC[C@@H]1CCCC(=O)[C@H]1Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
160.065g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.641g/mol
Monoisotopic Mass:
160.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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