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72922-67-9 | Benzoic acid, 3-bromo-4,6-dihydroxy-2,5-dimethyl-, methyl ester
CAS No: 72922-67-9 Catalog No: AG005DZH MDL No:
Product Description
Catalog Number:
AG005DZH
Chemical Name:
Benzoic acid, 3-bromo-4,6-dihydroxy-2,5-dimethyl-, methyl ester
CAS Number:
72922-67-9
Molecular Formula:
C10H11BrO4
Molecular Weight:
275.0959
IUPAC Name:
methyl 5-bromo-2,4-dihydroxy-3,6-dimethylbenzoate
InChI:
InChI=1S/C10H11BrO4/c1-4-6(10(14)15-3)8(12)5(2)9(13)7(4)11/h12-13H,1-3H3
InChI Key:
BWSOVHQJQSVBET-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)c(C)c(c(c1C)Br)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.098g/mol
Monoisotopic Mass:
273.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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