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88533-90-8 | 1-Benzoxepin-5-ol, 4-bromo-2,3,4,5-tetrahydro-, trans-
CAS No: 88533-90-8 Catalog No: AG0046OD MDL No:
Product Description
Catalog Number:
AG0046OD
Chemical Name:
1-Benzoxepin-5-ol, 4-bromo-2,3,4,5-tetrahydro-, trans-
CAS Number:
88533-90-8
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
4-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
InChI:
InChI=1S/C10H11BrO2/c11-8-5-6-13-9-4-2-1-3-7(9)10(8)12/h1-4,8,10,12H,5-6H2
InChI Key:
MOMUUNBKRNXGGG-UHFFFAOYSA-N
SMILES:
Br[C@@H]1CCOc2c([C@H]1O)cccc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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