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162271-15-0 | Phenol, 2-bromo-4-(1,3-dioxolan-2-yl)-
CAS No: 162271-15-0 Catalog No: AG001SXK MDL No:
Product Description
Catalog Number:
AG001SXK
Chemical Name:
Phenol, 2-bromo-4-(1,3-dioxolan-2-yl)-
CAS Number:
162271-15-0
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
IUPAC Name:
2-bromo-4-(1,3-dioxolan-2-yl)phenol
InChI:
InChI=1S/C9H9BrO3/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9,11H,3-4H2
InChI Key:
WWWAJAPPWHAJOK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1Br)C1OCCO1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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