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80056-91-3 | (3r,4r)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol
CAS No: 80056-91-3 Catalog No: AG0055A4 MDL No:
Product Description
Catalog Number:
AG0055A4
Chemical Name:
(3r,4r)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol
CAS Number:
80056-91-3
Molecular Formula:
C18H15BrO
Molecular Weight:
327.2151
IUPAC Name:
(3R,4R)-3-bromo-1,2,3,4-tetrahydrochrysen-4-ol
InChI:
InChI=1S/C18H15BrO/c19-16-10-7-12-6-8-14-13-4-2-1-3-11(13)5-9-15(14)17(12)18(16)20/h1-6,8-9,16,18,20H,7,10H2/t16-,18+/m1/s1
InChI Key:
VZFRPVWDMXOWNC-AEFFLSMTSA-N
SMILES:
Br[C@@H]1CCc2c([C@H]1O)c1ccc3c(c1cc2)cccc3
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
326.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.221g/mol
Monoisotopic Mass:
326.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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