Home Halogens 1-bromocyclobutane-1-carbonitrile

1-bromocyclobutane-1-carbonitrile

CAS No.:
39994-98-4
Catalog Number:
AG01BF3M
Molecular Formula:
C5H6BrN
Molecular Weight:
160.0118
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Product Description
Catalog Number:
AG01BF3M
Chemical Name:
1-bromocyclobutane-1-carbonitrile
CAS Number:
39994-98-4
Molecular Formula:
C5H6BrN
Molecular Weight:
160.0118
MDL Number:
MFCD25986985
IUPAC Name:
1-bromocyclobutane-1-carbonitrile
InChI:
InChI=1S/C5H6BrN/c6-5(4-7)2-1-3-5/h1-3H2
InChI Key:
QZXIMWRBRVXDOY-UHFFFAOYSA-N
SMILES:
N#CC1(Br)CCC1
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.968g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.014g/mol
Monoisotopic Mass:
158.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties