Home Halogens 3-bromo-5-(pyrrolidin-1-yl)benzonitrile

3-bromo-5-(pyrrolidin-1-yl)benzonitrile

CAS No.:
1129541-71-4
Catalog Number:
AG01B4VA
Molecular Formula:
C11H11BrN2
Molecular Weight:
251.1224
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Product Description
Catalog Number:
AG01B4VA
Chemical Name:
3-bromo-5-(pyrrolidin-1-yl)benzonitrile
CAS Number:
1129541-71-4
Molecular Formula:
C11H11BrN2
Molecular Weight:
251.1224
MDL Number:
MFCD29991803
IUPAC Name:
3-bromo-5-pyrrolidin-1-ylbenzonitrile
InChI:
InChI=1S/C11H11BrN2/c12-10-5-9(8-13)6-11(7-10)14-3-1-2-4-14/h5-7H,1-4H2
InChI Key:
ZQXHUVROIPCLPL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1)N1CCCC1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.011g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.127g/mol
Monoisotopic Mass:
250.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties