Home Halogens 3-bromocyclopentane-1-carbonitrile, Mixture of diastereomers

3-bromocyclopentane-1-carbonitrile, Mixture of diastereomers

CAS No.:
338444-78-3
Catalog Number:
AG01BEE0
Molecular Formula:
C6H8BrN
Molecular Weight:
174.0384
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Product Description
Catalog Number:
AG01BEE0
Chemical Name:
3-bromocyclopentane-1-carbonitrile, Mixture of diastereomers
CAS Number:
338444-78-3
Molecular Formula:
C6H8BrN
Molecular Weight:
174.0384
MDL Number:
MFCD21184652
IUPAC Name:
3-bromocyclopentane-1-carbonitrile
InChI:
InChI=1S/C6H8BrN/c7-6-2-1-5(3-6)4-8/h5-6H,1-3H2
InChI Key:
CLTCFOSERODSMX-UHFFFAOYSA-N
SMILES:
N#CC1CCC(C1)Br
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.984g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.041g/mol
Monoisotopic Mass:
172.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties