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921770-63-0

921770-63-0 | Cyclohexanone, 2-bromo-3-ethyl-, (2S,3R)-

CAS No: 921770-63-0 Catalog No: AG006GKL MDL No:

Product Description

Catalog Number:
AG006GKL
Chemical Name:
Cyclohexanone, 2-bromo-3-ethyl-, (2S,3R)-
CAS Number:
921770-63-0
Molecular Formula:
C8H13BrO
Molecular Weight:
205.0922
IUPAC Name:
(2S,3R)-2-bromo-3-ethylcyclohexan-1-one
InChI:
InChI=1S/C8H13BrO/c1-2-6-4-3-5-7(10)8(6)9/h6,8H,2-5H2,1H3/t6-,8+/m1/s1
InChI Key:
LUVVJRSICOPRSN-SVRRBLITSA-N
SMILES:
CC[C@@H]1CCCC(=O)[C@H]1Br

Properties

Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
204.015g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.095g/mol
Monoisotopic Mass:
204.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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