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150965-73-4 | Benzoic acid, 3,5-dibromo-2,4-dimethoxy-6-methyl-, methyl ester
CAS No: 150965-73-4 Catalog No: AG001MYA MDL No:
Product Description
Catalog Number:
AG001MYA
Chemical Name:
Benzoic acid, 3,5-dibromo-2,4-dimethoxy-6-methyl-, methyl ester
CAS Number:
150965-73-4
Molecular Formula:
C11H12Br2O4
Molecular Weight:
368.0186
IUPAC Name:
methyl 3,5-dibromo-2,4-dimethoxy-6-methylbenzoate
InChI:
InChI=1S/C11H12Br2O4/c1-5-6(11(14)17-4)9(15-2)8(13)10(16-3)7(5)12/h1-4H3
InChI Key:
HCKWDQNSOKQKEN-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)c(Br)c(c(c1OC)Br)OC
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.908g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.021g/mol
Monoisotopic Mass:
365.91g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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