Home Halogens 2-Pyrrolidinone, 5-(bromomethyl)-

2-Pyrrolidinone, 5-(bromomethyl)-

CAS No.:
190271-85-3
Catalog Number:
AG002EGI
Molecular Formula:
C5H8BrNO
Molecular Weight:
178.0271
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Product Description
Catalog Number:
AG002EGI
Chemical Name:
2-Pyrrolidinone, 5-(bromomethyl)-
CAS Number:
190271-85-3
Molecular Formula:
C5H8BrNO
Molecular Weight:
178.0271
MDL Number:
MFCD04038517
IUPAC Name:
5-(bromomethyl)pyrrolidin-2-one
InChI:
InChI=1S/C5H8BrNO/c6-3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)
InChI Key:
QFOSFXPTXNRRMF-UHFFFAOYSA-N
SMILES:
BrCC1CCC(=O)N1
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.979g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.029g/mol
Monoisotopic Mass:
176.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties