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Home > Aldehydes > 287117-31-1
287117-31-1 | Benzaldehyde, 2-bromo-5-hydroxy-4-methoxy-3-methyl-
CAS No: 287117-31-1 Catalog No: AG002W7R MDL No:
Product Description
Catalog Number:
AG002W7R
Chemical Name:
Benzaldehyde, 2-bromo-5-hydroxy-4-methoxy-3-methyl-
CAS Number:
287117-31-1
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
IUPAC Name:
2-bromo-5-hydroxy-4-methoxy-3-methylbenzaldehyde
InChI:
InChI=1S/C9H9BrO3/c1-5-8(10)6(4-11)3-7(12)9(5)13-2/h3-4,12H,1-2H3
InChI Key:
QCPQJMMBAKZETR-UHFFFAOYSA-N
SMILES:
COc1c(O)cc(c(c1C)Br)C=O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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