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178946-35-5 | 3-Bromo-1-pyridin-4-ylpyrrolidin-2-one
CAS No: 178946-35-5 Catalog No: AG01FCT5 MDL No:
Product Description
Catalog Number:
AG01FCT5
Chemical Name:
3-Bromo-1-pyridin-4-ylpyrrolidin-2-one
CAS Number:
178946-35-5
Molecular Formula:
C9H9BrN2O
Molecular Weight:
241.0846
IUPAC Name:
3-bromo-1-pyridin-4-ylpyrrolidin-2-one
InChI:
InChI=1S/C9H9BrN2O/c10-8-3-6-12(9(8)13)7-1-4-11-5-2-7/h1-2,4-5,8H,3,6H2
InChI Key:
OAYADPORETVRBK-UHFFFAOYSA-N
SMILES:
BrC1CCN(C1=O)c1ccncc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.088g/mol
Monoisotopic Mass:
239.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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