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870761-09-4 | 1-[4-(BROMOACETYL)PHENYL]-2-PYRROLIDINONE
CAS No: 870761-09-4 Catalog No: AG004MVK MDL No:MFCD07345533
Product Description
Catalog Number:
AG004MVK
Chemical Name:
1-[4-(BROMOACETYL)PHENYL]-2-PYRROLIDINONE
CAS Number:
870761-09-4
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
MDL Number:
MFCD07345533
IUPAC Name:
1-[4-(2-bromoacetyl)phenyl]pyrrolidin-2-one
InChI:
InChI=1S/C12H12BrNO2/c13-8-11(15)9-3-5-10(6-4-9)14-7-1-2-12(14)16/h3-6H,1-2,7-8H2
InChI Key:
XKILSOKYMDEVDN-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)N1CCCC1=O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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