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Home > Bromides > 1226225-33-7
1226225-33-7 | 2-Pyrrolidinone, 1-(3-bromo-4-methylphenyl)-
CAS No: 1226225-33-7 Catalog No: AG0017JZ MDL No:MFCD16329136
Product Description
Catalog Number:
AG0017JZ
Chemical Name:
2-Pyrrolidinone, 1-(3-bromo-4-methylphenyl)-
CAS Number:
1226225-33-7
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD16329136
IUPAC Name:
1-(3-bromo-4-methylphenyl)pyrrolidin-2-one
InChI:
InChI=1S/C11H12BrNO/c1-8-4-5-9(7-10(8)12)13-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3
InChI Key:
MQPVFYMEWYHKHI-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ccc(c(c1)Br)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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