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1314713-05-7 | 2-Pyrrolidinone, 5-(2-bromophenyl)-
CAS No: 1314713-05-7 Catalog No: AG000W98 MDL No:
Product Description
Catalog Number:
AG000W98
Chemical Name:
2-Pyrrolidinone, 5-(2-bromophenyl)-
CAS Number:
1314713-05-7
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
IUPAC Name:
5-(2-bromophenyl)pyrrolidin-2-one
InChI:
InChI=1S/C10H10BrNO/c11-8-4-2-1-3-7(8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)
InChI Key:
NLBIOMHIVPKNOO-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)c1ccccc1Br
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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