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129103-69-1 | Phenol, 2-bromo-4,5-dimethoxy-
CAS No: 129103-69-1 Catalog No: AG000YUO MDL No:MFCD11110624
Product Description
Catalog Number:
AG000YUO
Chemical Name:
Phenol, 2-bromo-4,5-dimethoxy-
CAS Number:
129103-69-1
Molecular Formula:
C8H9BrO3
Molecular Weight:
233.0593
MDL Number:
MFCD11110624
IUPAC Name:
2-bromo-4,5-dimethoxyphenol
InChI:
InChI=1S/C8H9BrO3/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,10H,1-2H3
InChI Key:
YGMAGXHPUIGKFF-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(cc1OC)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.061g/mol
Monoisotopic Mass:
231.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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