Home Halogens 4-(3-bromo-2-oxopiperidin-1-yl)benzonitrile

4-(3-bromo-2-oxopiperidin-1-yl)benzonitrile

CAS No.:
1343157-40-3
Catalog Number:
AG01A57B
Molecular Formula:
C12H11BrN2O
Molecular Weight:
279.1325
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Product Description
Catalog Number:
AG01A57B
Chemical Name:
4-(3-bromo-2-oxopiperidin-1-yl)benzonitrile
CAS Number:
1343157-40-3
Molecular Formula:
C12H11BrN2O
Molecular Weight:
279.1325
MDL Number:
MFCD19678857
IUPAC Name:
4-(3-bromo-2-oxopiperidin-1-yl)benzonitrile
InChI:
InChI=1S/C12H11BrN2O/c13-11-2-1-7-15(12(11)16)10-5-3-9(8-14)4-6-10/h3-6,11H,1-2,7H2
InChI Key:
OKHNIXFGUJHMSK-UHFFFAOYSA-N
SMILES:
BrC1CCCN(C1=O)c1ccc(cc1)C#N
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.005g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.137g/mol
Monoisotopic Mass:
278.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties