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Home > Bromides > 1260649-11-3
1260649-11-3 | Benzonitrile, 2-bromo-6-(1-piperidinyl)-
CAS No: 1260649-11-3 Catalog No: AG000QYH MDL No:MFCD11037745
Product Description
Catalog Number:
AG000QYH
Chemical Name:
Benzonitrile, 2-bromo-6-(1-piperidinyl)-
CAS Number:
1260649-11-3
Molecular Formula:
C12H13BrN2
Molecular Weight:
265.1490
MDL Number:
MFCD11037745
IUPAC Name:
2-bromo-6-piperidin-1-ylbenzonitrile
InChI:
InChI=1S/C12H13BrN2/c13-11-5-4-6-12(10(11)9-14)15-7-2-1-3-8-15/h4-6H,1-3,7-8H2
InChI Key:
PECAOGIZKHOSKX-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)cccc1N1CCCCC1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.154g/mol
Monoisotopic Mass:
264.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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