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Home > Aldehydes > 109765-52-8
109765-52-8 | Benzaldehyde, 3-bromo-2-hydroxy-4,5-dimethoxy-
CAS No: 109765-52-8 Catalog No: AG00796D MDL No:
Product Description
Catalog Number:
AG00796D
Chemical Name:
Benzaldehyde, 3-bromo-2-hydroxy-4,5-dimethoxy-
CAS Number:
109765-52-8
Molecular Formula:
C9H9BrO4
Molecular Weight:
261.0694
IUPAC Name:
3-bromo-2-hydroxy-4,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H9BrO4/c1-13-6-3-5(4-11)8(12)7(10)9(6)14-2/h3-4,12H,1-2H3
InChI Key:
OLGGEWOLCAWOQS-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c(c1OC)Br)O
Properties
Complexity:
199
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:
2.2
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