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190020-74-7 | 1-Naphthalenol, 2-bromo-1,2,3,4-tetrahydro-6-methyl-, (1R,2R)-rel-
CAS No: 190020-74-7 Catalog No: AG002E91 MDL No:
Product Description
Catalog Number:
AG002E91
Chemical Name:
1-Naphthalenol, 2-bromo-1,2,3,4-tetrahydro-6-methyl-, (1R,2R)-rel-
CAS Number:
190020-74-7
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
IUPAC Name:
(1R,2R)-2-bromo-6-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
InChI:
InChI=1S/C11H13BrO/c1-7-2-4-9-8(6-7)3-5-10(12)11(9)13/h2,4,6,10-11,13H,3,5H2,1H3/t10-,11-/m1/s1
InChI Key:
YWKNVIXJNRJVQA-GHMZBOCLSA-N
SMILES:
Br[C@@H]1CCc2c([C@H]1O)ccc(c2)C
Properties
Complexity:
183
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:
1
Isotope Atom Count:
0
Molecular Weight:
241.128g/mol
Monoisotopic Mass:
240.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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