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79849-46-0 | 2H-Pyran, 2-[2-(4-bromophenyl)ethoxy]tetrahydro-
CAS No: 79849-46-0 Catalog No: AG00503N MDL No:
Product Description
Catalog Number:
AG00503N
Chemical Name:
2H-Pyran, 2-[2-(4-bromophenyl)ethoxy]tetrahydro-
CAS Number:
79849-46-0
Molecular Formula:
C13H17BrO2
Molecular Weight:
285.1769
IUPAC Name:
2-[2-(4-bromophenyl)ethoxy]oxane
InChI:
InChI=1S/C13H17BrO2/c14-12-6-4-11(5-7-12)8-10-16-13-3-1-2-9-15-13/h4-7,13H,1-3,8-10H2
InChI Key:
HGKHQEVNPHCQCH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCOC1CCCCO1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.181g/mol
Monoisotopic Mass:
284.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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