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32246-20-1

32246-20-1 | 5-Bromo-2,4-dimethoxybenzoic acid

CAS No: 32246-20-1 Catalog No: AG003MGL MDL No:MFCD05865172

Product Description

Catalog Number:
AG003MGL
Chemical Name:
5-Bromo-2,4-dimethoxybenzoic acid
CAS Number:
32246-20-1
Molecular Formula:
C9H9BrO4
Molecular Weight:
261.0694
MDL Number:
MFCD05865172
IUPAC Name:
5-bromo-2,4-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9BrO4/c1-13-7-4-8(14-2)6(10)3-5(7)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
WOPJFSQYDOHZMK-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1C(=O)O)Br

Properties

Complexity:
209  
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:
2.1  

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