Home Halogens 1-(bromomethyl)-1,3-dimethylcyclobutane, Mixture of diastereomers

1-(bromomethyl)-1,3-dimethylcyclobutane, Mixture of diastereomers

CAS No.:
2106452-76-8
Catalog Number:
AG01ELVO
Molecular Formula:
C7H13Br
Molecular Weight:
177.0821
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Product Description
Catalog Number:
AG01ELVO
Chemical Name:
1-(bromomethyl)-1,3-dimethylcyclobutane, Mixture of diastereomers
CAS Number:
2106452-76-8
Molecular Formula:
C7H13Br
Molecular Weight:
177.0821
MDL Number:
MFCD31422513
IUPAC Name:
1-(bromomethyl)-1,3-dimethylcyclobutane
InChI:
InChI=1S/C7H13Br/c1-6-3-7(2,4-6)5-8/h6H,3-5H2,1-2H3
InChI Key:
DGGSHTKLHFDASK-UHFFFAOYSA-N
SMILES:
BrCC1(C)CC(C1)C
Properties
Complexity:
82.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.02g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.085g/mol
Monoisotopic Mass:
176.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties