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1516266-56-0 | 1-[(2-bromo-3-fluorophenyl)methyl]pyrrolidin-2-one
CAS No: 1516266-56-0 Catalog No: AG01DVHP MDL No:MFCD25131737
Product Description
Catalog Number:
AG01DVHP
Chemical Name:
1-[(2-bromo-3-fluorophenyl)methyl]pyrrolidin-2-one
CAS Number:
1516266-56-0
Molecular Formula:
C11H11BrFNO
Molecular Weight:
272.1135
MDL Number:
MFCD25131737
IUPAC Name:
1-[(2-bromo-3-fluorophenyl)methyl]pyrrolidin-2-one
InChI:
InChI=1S/C11H11BrFNO/c12-11-8(3-1-4-9(11)13)7-14-6-2-5-10(14)15/h1,3-4H,2,5-7H2
InChI Key:
PETIKMPGPCZFPX-UHFFFAOYSA-N
SMILES:
O=C1CCCN1Cc1cccc(c1Br)F
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.117g/mol
Monoisotopic Mass:
271.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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