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821806-11-5 | 1,2-Ethanediol, 1-(3-bromo-4-methoxyphenyl)-
CAS No: 821806-11-5 Catalog No: AG0050JN MDL No:
Product Description
Catalog Number:
AG0050JN
Chemical Name:
1,2-Ethanediol, 1-(3-bromo-4-methoxyphenyl)-
CAS Number:
821806-11-5
Molecular Formula:
C9H11BrO3
Molecular Weight:
247.0858
IUPAC Name:
1-(3-bromo-4-methoxyphenyl)ethane-1,2-diol
InChI:
InChI=1S/C9H11BrO3/c1-13-9-3-2-6(4-7(9)10)8(12)5-11/h2-4,8,11-12H,5H2,1H3
InChI Key:
BHURKAYFBQRINA-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(c(c1)Br)OC)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.088g/mol
Monoisotopic Mass:
245.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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