Home Halogens ([4-(4-bromophenoxy)butyl]sulfanyl)formonitrile

([4-(4-bromophenoxy)butyl]sulfanyl)formonitrile

CAS No.:
415724-26-4
Catalog Number:
AG01BJ2T
Molecular Formula:
C11H12BrNOS
Molecular Weight:
286.1881
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Product Description
Catalog Number:
AG01BJ2T
Chemical Name:
([4-(4-bromophenoxy)butyl]sulfanyl)formonitrile
CAS Number:
415724-26-4
Molecular Formula:
C11H12BrNOS
Molecular Weight:
286.1881
MDL Number:
MFCD00814918
IUPAC Name:
4-(4-bromophenoxy)butyl thiocyanate
InChI:
InChI=1S/C11H12BrNOS/c12-10-3-5-11(6-4-10)14-7-1-2-8-15-9-13/h3-6H,1-2,7-8H2
InChI Key:
QBGQCUWLGKNVQI-UHFFFAOYSA-N
SMILES:
N#CSCCCCOc1ccc(cc1)Br
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.982g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.187g/mol
Monoisotopic Mass:
284.982g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties