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1443348-82-0 | 1-(3-Bromophenyl)-3-[2-(1,3-dioxanyl)]-1-propanol
CAS No: 1443348-82-0 Catalog No: AG01EU4P MDL No:
Product Description
Catalog Number:
AG01EU4P
Chemical Name:
1-(3-Bromophenyl)-3-[2-(1,3-dioxanyl)]-1-propanol
CAS Number:
1443348-82-0
Molecular Formula:
C13H17BrO3
Molecular Weight:
301.1763
IUPAC Name:
1-(3-bromophenyl)-3-(1,3-dioxan-2-yl)propan-1-ol
InChI:
InChI=1S/C13H17BrO3/c14-11-4-1-3-10(9-11)12(15)5-6-13-16-7-2-8-17-13/h1,3-4,9,12-13,15H,2,5-8H2
InChI Key:
QTVYVEDNUOLGSZ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(CCC1OCCCO1)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.18g/mol
Monoisotopic Mass:
300.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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