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23346-82-9 | Benzoic acid, 2-bromo-3,4,5-trimethoxy-
CAS No: 23346-82-9 Catalog No: AG002MWW MDL No:MFCD08143633
Product Description
Catalog Number:
AG002MWW
Chemical Name:
Benzoic acid, 2-bromo-3,4,5-trimethoxy-
CAS Number:
23346-82-9
Molecular Formula:
C10H11BrO5
Molecular Weight:
291.0953
MDL Number:
MFCD08143633
IUPAC Name:
2-bromo-3,4,5-trimethoxybenzoic acid
InChI:
InChI=1S/C10H11BrO5/c1-14-6-4-5(10(12)13)7(11)9(16-3)8(6)15-2/h4H,1-3H3,(H,12,13)
InChI Key:
AUVPVHYYPCTFAV-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(c(c1OC)OC)Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.097g/mol
Monoisotopic Mass:
289.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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