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139927-22-3 | 2(5H)-Furanone, 4-[(2-bromophenyl)amino]-5,5-dimethyl-
CAS No: 139927-22-3 Catalog No: AG001BT9 MDL No:
Product Description
Catalog Number:
AG001BT9
Chemical Name:
2(5H)-Furanone, 4-[(2-bromophenyl)amino]-5,5-dimethyl-
CAS Number:
139927-22-3
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
IUPAC Name:
4-(2-bromoanilino)-5,5-dimethylfuran-2-one
InChI:
InChI=1S/C12H12BrNO2/c1-12(2)10(7-11(15)16-12)14-9-6-4-3-5-8(9)13/h3-7,14H,1-2H3
InChI Key:
HVIVKPBHOKIJFU-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(O1)(C)C)Nc1ccccc1Br
Properties
Complexity:
325
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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