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830320-16-6

830320-16-6 | Pyridine, 3-[(1Z)-2-[(4-bromophenyl)thio]-1-octenyl]-

CAS No: 830320-16-6 Catalog No: AG005DJ6 MDL No:

Product Description

Catalog Number:
AG005DJ6
Chemical Name:
Pyridine, 3-[(1Z)-2-[(4-bromophenyl)thio]-1-octenyl]-
CAS Number:
830320-16-6
Molecular Formula:
C19H22BrNS
Molecular Weight:
376.3537
IUPAC Name:
3-[2-(4-bromophenyl)sulfanyloct-1-enyl]pyridine
InChI:
InChI=1S/C19H22BrNS/c1-2-3-4-5-8-19(14-16-7-6-13-21-15-16)22-18-11-9-17(20)10-12-18/h6-7,9-15H,2-5,8H2,1H3
InChI Key:
YMWRRHDISYNLPW-UHFFFAOYSA-N
SMILES:
CCCCCC/C(=C/c1cccnc1)/Sc1ccc(cc1)Br

Properties

Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.066g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.356g/mol
Monoisotopic Mass:
375.066g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
6.8  

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