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72479-05-1 | (S)-(+)-5-Bromomethyl-2-pyrrolidinone
CAS No: 72479-05-1 Catalog No: AG003CMQ MDL No:MFCD01632456
Product Description
Catalog Number:
AG003CMQ
Chemical Name:
(S)-(+)-5-Bromomethyl-2-pyrrolidinone
CAS Number:
72479-05-1
Molecular Formula:
C5H8BrNO
Molecular Weight:
178.0271
MDL Number:
MFCD01632456
IUPAC Name:
(5S)-5-(bromomethyl)pyrrolidin-2-one
InChI:
InChI=1S/C5H8BrNO/c6-3-4-1-2-5(8)7-4/h4H,1-3H2,(H,7,8)/t4-/m0/s1
InChI Key:
QFOSFXPTXNRRMF-BYPYZUCNSA-N
SMILES:
BrC[C@@H]1CCC(=O)N1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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