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85565-93-1 | Benzaldehyde,2-bromo-3,5-dimethoxy-
CAS No: 85565-93-1 Catalog No: AG008HFP MDL No:
Product Description
Catalog Number:
AG008HFP
Chemical Name:
Benzaldehyde,2-bromo-3,5-dimethoxy-
CAS Number:
85565-93-1
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
IUPAC Name:
2-bromo-3,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H9BrO3/c1-12-7-3-6(5-11)9(10)8(4-7)13-2/h3-5H,1-2H3
InChI Key:
SOKPGTRDTOKLPD-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)C=O)Br
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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