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204849-21-8 | Benzoic acid, 3-bromo-2,5-dimethoxy-, methyl ester
CAS No: 204849-21-8 Catalog No: AG0029PY MDL No:
Product Description
Catalog Number:
AG0029PY
Chemical Name:
Benzoic acid, 3-bromo-2,5-dimethoxy-, methyl ester
CAS Number:
204849-21-8
Molecular Formula:
C10H11BrO4
Molecular Weight:
275.0959
IUPAC Name:
methyl 3-bromo-2,5-dimethoxybenzoate
InChI:
InChI=1S/C10H11BrO4/c1-13-6-4-7(10(12)15-3)9(14-2)8(11)5-6/h4-5H,1-3H3
InChI Key:
ACAWWZKFZMGWPT-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(c(c1)C(=O)OC)OC
Properties
Complexity:
222
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:
0
Isotope Atom Count:
0
Molecular Weight:
275.098g/mol
Monoisotopic Mass:
273.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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