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155262-35-4 | 2-Propanol, 1-bromo-3-(4-methylphenoxy)-
CAS No: 155262-35-4 Catalog No: AG001NS0 MDL No:
Product Description
Catalog Number:
AG001NS0
Chemical Name:
2-Propanol, 1-bromo-3-(4-methylphenoxy)-
CAS Number:
155262-35-4
Molecular Formula:
C10H13BrO2
Molecular Weight:
245.1130
IUPAC Name:
1-bromo-3-(4-methylphenoxy)propan-2-ol
InChI:
InChI=1S/C10H13BrO2/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-5,9,12H,6-7H2,1H3
InChI Key:
APEYEGIOUQFXKB-UHFFFAOYSA-N
SMILES:
BrCC(COc1ccc(cc1)C)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.116g/mol
Monoisotopic Mass:
244.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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