Home Halogens 1-(2-bromoethyl)-4-methylcyclohexane, Mixture of diastereomers

1-(2-bromoethyl)-4-methylcyclohexane, Mixture of diastereomers

CAS No.:
5452-69-7
Catalog Number:
AG01ELQN
Molecular Formula:
C9H17Br
Molecular Weight:
205.1353
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Product Description
Catalog Number:
AG01ELQN
Chemical Name:
1-(2-bromoethyl)-4-methylcyclohexane, Mixture of diastereomers
CAS Number:
5452-69-7
Molecular Formula:
C9H17Br
Molecular Weight:
205.1353
MDL Number:
MFCD20408383
IUPAC Name:
1-(2-bromoethyl)-4-methylcyclohexane
InChI:
InChI=1S/C9H17Br/c1-8-2-4-9(5-3-8)6-7-10/h8-9H,2-7H2,1H3
InChI Key:
IPSACNFGNBSRTQ-UHFFFAOYSA-N
SMILES:
BrCCC1CCC(CC1)C
NSC Number:
18971
Properties
Complexity:
82.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.051g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.139g/mol
Monoisotopic Mass:
204.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties