Home Halogens 2-(benzylthio)-5-bromobenzonitrile

2-(benzylthio)-5-bromobenzonitrile

CAS No.:
1712880-32-4
Catalog Number:
AG01DJI9
Molecular Formula:
C14H10BrNS
Molecular Weight:
304.2049
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Product Description
Catalog Number:
AG01DJI9
Chemical Name:
2-(benzylthio)-5-bromobenzonitrile
CAS Number:
1712880-32-4
Molecular Formula:
C14H10BrNS
Molecular Weight:
304.2049
MDL Number:
MFCD31652597
IUPAC Name:
2-benzylsulfanyl-5-bromobenzonitrile
InChI:
InChI=1S/C14H10BrNS/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8H,10H2
InChI Key:
UBXLDARLBDFKHA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1SCc1ccccc1
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.972g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.205g/mol
Monoisotopic Mass:
302.972g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties