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20037-38-1

20037-38-1 | Acetic acid, 2-(4-bromo-2-formyl-6-methoxyphenoxy)-

CAS No: 20037-38-1 Catalog No: AG002CQ8 MDL No:MFCD04083027

Product Description

Catalog Number:
AG002CQ8
Chemical Name:
Acetic acid, 2-(4-bromo-2-formyl-6-methoxyphenoxy)-
CAS Number:
20037-38-1
Molecular Formula:
C10H9BrO5
Molecular Weight:
289.0795
MDL Number:
MFCD04083027
IUPAC Name:
2-(4-bromo-2-formyl-6-methoxyphenoxy)acetic acid
InChI:
InChI=1S/C10H9BrO5/c1-15-8-3-7(11)2-6(4-12)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChI Key:
RCDYCPFAYHFSLV-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1OCC(=O)O)C=O

Properties

Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.963g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.081g/mol
Monoisotopic Mass:
287.963g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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