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1443312-23-9 | 3-Bromo-3'-iso-propoxybenzhydrol
CAS No: 1443312-23-9 Catalog No: AG01FEPI MDL No:
Product Description
Catalog Number:
AG01FEPI
Chemical Name:
3-Bromo-3'-iso-propoxybenzhydrol
CAS Number:
1443312-23-9
Molecular Formula:
C16H17BrO2
Molecular Weight:
321.2090
IUPAC Name:
(3-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
InChI:
InChI=1S/C16H17BrO2/c1-11(2)19-15-8-4-6-13(10-15)16(18)12-5-3-7-14(17)9-12/h3-11,16,18H,1-2H3
InChI Key:
GISSSONOXBLHNN-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)C(c1cccc(c1)Br)O)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.214g/mol
Monoisotopic Mass:
320.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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