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944684-27-9 | 4-Bromo-3',5'-dimethylbenzhydrol
CAS No: 944684-27-9 Catalog No: AG01EZJ4 MDL No:
Product Description
Catalog Number:
AG01EZJ4
Chemical Name:
4-Bromo-3',5'-dimethylbenzhydrol
CAS Number:
944684-27-9
Molecular Formula:
C15H15BrO
Molecular Weight:
291.1830
IUPAC Name:
(4-bromophenyl)-(3,5-dimethylphenyl)methanol
InChI:
InChI=1S/C15H15BrO/c1-10-7-11(2)9-13(8-10)15(17)12-3-5-14(16)6-4-12/h3-9,15,17H,1-2H3
InChI Key:
LGRGJTKMUKMLOR-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1cc(C)cc(c1)C)O
Properties
Complexity:
225
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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