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Home > Bromides > 1261994-99-3
1261994-99-3 | 2-Pyrrolidinone, 1-[4-bromo-3-(trifluoromethyl)phenyl]-
CAS No: 1261994-99-3 Catalog No: AG000SBE MDL No:MFCD18311866
Product Description
Catalog Number:
AG000SBE
Chemical Name:
2-Pyrrolidinone, 1-[4-bromo-3-(trifluoromethyl)phenyl]-
CAS Number:
1261994-99-3
Molecular Formula:
C11H9BrF3NO
Molecular Weight:
308.0945
MDL Number:
MFCD18311866
IUPAC Name:
1-[4-bromo-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
InChI:
InChI=1S/C11H9BrF3NO/c12-9-4-3-7(6-8(9)11(13,14)15)16-5-1-2-10(16)17/h3-4,6H,1-2,5H2
InChI Key:
SSWXPVAQLRIJIR-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.982g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.098g/mol
Monoisotopic Mass:
306.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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