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1799434-63-1 | 2H-Pyran, 4-bromotetrahydro-2-phenyl-, (2R,4R)-rel-
CAS No: 1799434-63-1 Catalog No: AG0021IF MDL No:
Product Description
Catalog Number:
AG0021IF
Chemical Name:
2H-Pyran, 4-bromotetrahydro-2-phenyl-, (2R,4R)-rel-
CAS Number:
1799434-63-1
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
IUPAC Name:
(2R,4R)-4-bromo-2-phenyloxane
InChI:
InChI=1S/C11H13BrO/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m1/s1
InChI Key:
KVGUZXIBIZOWIU-GHMZBOCLSA-N
SMILES:
Br[C@@H]1CCO[C@H](C1)c1ccccc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
240.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.128g/mol
Monoisotopic Mass:
240.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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