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Home > Bromides > 1157775-71-7
1157775-71-7 | 2-Pyrrolidinone, 1-(5-bromo-2-methylphenyl)-
CAS No: 1157775-71-7 Catalog No: AG000GUC MDL No:MFCD12065860
Product Description
Catalog Number:
AG000GUC
Chemical Name:
2-Pyrrolidinone, 1-(5-bromo-2-methylphenyl)-
CAS Number:
1157775-71-7
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD12065860
IUPAC Name:
1-(5-bromo-2-methylphenyl)pyrrolidin-2-one
InChI:
InChI=1S/C11H12BrNO/c1-8-4-5-9(12)7-10(8)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3
InChI Key:
NUOYZAJEWWZIMS-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)N1CCCC1=O)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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