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333360-85-3 | 3-Bromo-4'-ethylbenzhydrol
CAS No: 333360-85-3 Catalog No: AG01EVEM MDL No:
Product Description
Catalog Number:
AG01EVEM
Chemical Name:
3-Bromo-4'-ethylbenzhydrol
CAS Number:
333360-85-3
Molecular Formula:
C15H15BrO
Molecular Weight:
291.1830
IUPAC Name:
(3-bromophenyl)-(4-ethylphenyl)methanol
InChI:
InChI=1S/C15H15BrO/c1-2-11-6-8-12(9-7-11)15(17)13-4-3-5-14(16)10-13/h3-10,15,17H,2H2,1H3
InChI Key:
IMPAHAAQZMNZHW-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(c1cccc(c1)Br)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.188g/mol
Monoisotopic Mass:
290.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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