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85432-87-7 | Benzaldehyde, 2-bromo-3,6-dimethoxy-
CAS No: 85432-87-7 Catalog No: AG004NNP MDL No:
Product Description
Catalog Number:
AG004NNP
Chemical Name:
Benzaldehyde, 2-bromo-3,6-dimethoxy-
CAS Number:
85432-87-7
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
IUPAC Name:
2-bromo-3,6-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H9BrO3/c1-12-7-3-4-8(13-2)9(10)6(7)5-11/h3-5H,1-2H3
InChI Key:
DVXQFFXHEVVPIS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1Br)C=O)OC
Properties
Complexity:
174
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:
0
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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