Home Halogens 2H-Pyran-4-carbonitrile, 4-(3-bromophenyl)tetrahydro-

2H-Pyran-4-carbonitrile, 4-(3-bromophenyl)tetrahydro-

CAS No.:
245439-36-5
Catalog Number:
AG002OH7
Molecular Formula:
C12H12BrNO
Molecular Weight:
266.1338
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002OH7
Chemical Name:
2H-Pyran-4-carbonitrile, 4-(3-bromophenyl)tetrahydro-
CAS Number:
245439-36-5
Molecular Formula:
C12H12BrNO
Molecular Weight:
266.1338
MDL Number:
MFCD08277238
IUPAC Name:
4-(3-bromophenyl)oxane-4-carbonitrile
InChI:
InChI=1S/C12H12BrNO/c13-11-3-1-2-10(8-11)12(9-14)4-6-15-7-5-12/h1-3,8H,4-7H2
InChI Key:
BNJZXXLNCGFDPP-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)c1cccc(c1)Br
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.01g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.138g/mol
Monoisotopic Mass:
265.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties