Home Halogens 1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonitrile

1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonitrile

CAS No.:
1017458-55-7
Catalog Number:
AG01ABP0
Molecular Formula:
C11H9BrN2O
Molecular Weight:
265.1060
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Product Description
Catalog Number:
AG01ABP0
Chemical Name:
1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonitrile
CAS Number:
1017458-55-7
Molecular Formula:
C11H9BrN2O
Molecular Weight:
265.1060
MDL Number:
MFCD10004143
IUPAC Name:
1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonitrile
InChI:
InChI=1S/C11H9BrN2O/c12-9-1-3-10(4-2-9)14-7-8(6-13)5-11(14)15/h1-4,8H,5,7H2
InChI Key:
AYXHRDQXBUAHSA-UHFFFAOYSA-N
SMILES:
N#CC1CN(C(=O)C1)c1ccc(cc1)Br
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.99g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.11g/mol
Monoisotopic Mass:
263.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties