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61203-54-1 | 4-bromo-2,6-dimethoxybenzoic acid
CAS No: 61203-54-1 Catalog No: AG01EL7V MDL No:MFCD28132241
Product Description
Catalog Number:
AG01EL7V
Chemical Name:
4-bromo-2,6-dimethoxybenzoic acid
CAS Number:
61203-54-1
Molecular Formula:
C9H9BrO4
Molecular Weight:
261.0694
MDL Number:
MFCD28132241
IUPAC Name:
4-bromo-2,6-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9BrO4/c1-13-6-3-5(10)4-7(14-2)8(6)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
SGXLLIOGWIOYDZ-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1C(=O)O)OC
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.968g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.071g/mol
Monoisotopic Mass:
259.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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