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165119-46-0 | 2H-Pyran-4-ol, 4-(4-bromophenyl)tetrahydro-
CAS No: 165119-46-0 Catalog No: AG001V8K MDL No:MFCD11849469
Product Description
Catalog Number:
AG001V8K
Chemical Name:
2H-Pyran-4-ol, 4-(4-bromophenyl)tetrahydro-
CAS Number:
165119-46-0
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD11849469
IUPAC Name:
4-(4-bromophenyl)oxan-4-ol
InChI:
InChI=1S/C11H13BrO2/c12-10-3-1-9(2-4-10)11(13)5-7-14-8-6-11/h1-4,13H,5-8H2
InChI Key:
FMPWAQRTCKMZKN-UHFFFAOYSA-N
SMILES:
OC1(CCOCC1)c1ccc(cc1)Br
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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