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Home > Bromides > 1314757-72-6
1314757-72-6 | 2-Pyrrolidinone, 5-(3-bromophenyl)-
CAS No: 1314757-72-6 Catalog No: AG000W94 MDL No:
Product Description
Catalog Number:
AG000W94
Chemical Name:
2-Pyrrolidinone, 5-(3-bromophenyl)-
CAS Number:
1314757-72-6
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
IUPAC Name:
5-(3-bromophenyl)pyrrolidin-2-one
InChI:
InChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)9-4-5-10(13)12-9/h1-3,6,9H,4-5H2,(H,12,13)
InChI Key:
RJOAFGQNRQKQSX-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)c1cccc(c1)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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