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60632-40-8 | 2-Bromo-4-hydroxy-5-methoxybenzaldehyde
CAS No: 60632-40-8 Catalog No: AG0034CK MDL No:MFCD01119128
Product Description
Catalog Number:
AG0034CK
Chemical Name:
2-Bromo-4-hydroxy-5-methoxybenzaldehyde
CAS Number:
60632-40-8
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD01119128
IUPAC Name:
2-bromo-4-hydroxy-5-methoxybenzaldehyde
InChI:
InChI=1S/C8H7BrO3/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-4,11H,1H3
InChI Key:
FVNRNBGSHCWQPD-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(cc1O)Br
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:
1.7
Literature
| Title | Journal |
|---|---|
| 5-Bromo-2-meth-oxy-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}phenol monohydrate. | Acta crystallographica. Section E, Structure reports online 20120201 |
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