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50343-02-7 | 3-Bromo-2-hydroxy-5-methoxybenzaldehyde
CAS No: 50343-02-7 Catalog No: AG006UOW MDL No:MFCD00091938
Product Description
Catalog Number:
AG006UOW
Chemical Name:
3-Bromo-2-hydroxy-5-methoxybenzaldehyde
CAS Number:
50343-02-7
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD00091938
IUPAC Name:
3-bromo-2-hydroxy-5-methoxybenzaldehyde
InChI:
InChI=1S/C8H7BrO3/c1-12-6-2-5(4-10)8(11)7(9)3-6/h2-4,11H,1H3
InChI Key:
BSLKYCQDKAAGGV-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c(c1)Br)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.045g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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