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1000705-55-4 | 2H-Pyran-4-carboxamide, 4-(4-bromophenyl)tetrahydro-
CAS No: 1000705-55-4 Catalog No: AG0000TP MDL No:
Product Description
Catalog Number:
AG0000TP
Chemical Name:
2H-Pyran-4-carboxamide, 4-(4-bromophenyl)tetrahydro-
CAS Number:
1000705-55-4
Molecular Formula:
C12H14BrNO2
Molecular Weight:
284.1491
IUPAC Name:
4-(4-bromophenyl)oxane-4-carboxamide
InChI:
InChI=1S/C12H14BrNO2/c13-10-3-1-9(2-4-10)12(11(14)15)5-7-16-8-6-12/h1-4H,5-8H2,(H2,14,15)
InChI Key:
AHHSRPJQBZNJSE-UHFFFAOYSA-N
SMILES:
NC(=O)C1(CCOCC1)c1ccc(cc1)Br
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.153g/mol
Monoisotopic Mass:
283.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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