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23149-37-3 | 1,4-Benzenediol, 2-bromo-6-methoxy-, 1,4-diacetate
CAS No: 23149-37-3 Catalog No: AG002MD0 MDL No:
Product Description
Catalog Number:
AG002MD0
Chemical Name:
1,4-Benzenediol, 2-bromo-6-methoxy-, 1,4-diacetate
CAS Number:
23149-37-3
Molecular Formula:
C11H11BrO5
Molecular Weight:
303.1060
IUPAC Name:
acetic acid;2-bromo-6-methoxybenzene-1,4-diol
InChI:
InChI=1S/C7H7BrO3.2C2H4O2/c1-11-6-3-4(9)2-5(8)7(6)10;2*1-2(3)4/h2-3,9-10H,1H3;2*1H3,(H,3,4)
InChI Key:
PWLHNAVZBRQENB-UHFFFAOYSA-N
SMILES:
COc1cc(OC(=O)C)cc(c1OC(=O)C)Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
339.138g/mol
Monoisotopic Mass:
338g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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