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1086398-10-8 | 4-N-Benzoylamino-2-(4-bromophenyl)-tetrahydropyrane
CAS No: 1086398-10-8 Catalog No: AG01F8NW MDL No:
Product Description
Catalog Number:
AG01F8NW
Chemical Name:
4-N-Benzoylamino-2-(4-bromophenyl)-tetrahydropyrane
CAS Number:
1086398-10-8
Molecular Formula:
C18H18BrNO2
Molecular Weight:
360.2450
IUPAC Name:
N-[2-(4-bromophenyl)oxan-4-yl]benzamide
InChI:
InChI=1S/C18H18BrNO2/c19-15-8-6-13(7-9-15)17-12-16(10-11-22-17)20-18(21)14-4-2-1-3-5-14/h1-9,16-17H,10-12H2,(H,20,21)
InChI Key:
KBFLYSVZXMRHKW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1OCCC(C1)NC(=O)c1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.251g/mol
Monoisotopic Mass:
359.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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