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1443333-24-1 | 3-Bromo-2'-iso-propylbenzhydrol
CAS No: 1443333-24-1 Catalog No: AG01FEX3 MDL No:
Product Description
Catalog Number:
AG01FEX3
Chemical Name:
3-Bromo-2'-iso-propylbenzhydrol
CAS Number:
1443333-24-1
Molecular Formula:
C16H17BrO
Molecular Weight:
305.2096
IUPAC Name:
(3-bromophenyl)-(2-propan-2-ylphenyl)methanol
InChI:
InChI=1S/C16H17BrO/c1-11(2)14-8-3-4-9-15(14)16(18)12-6-5-7-13(17)10-12/h3-11,16,18H,1-2H3
InChI Key:
RTNAFLJOEMVJBQ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(c1ccccc1C(C)C)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.215g/mol
Monoisotopic Mass:
304.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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