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71295-21-1 | 5-Bromo-2,3-dimethoxybenzaldehyde
CAS No: 71295-21-1 Catalog No: AG003MGF MDL No:MFCD02611624
Product Description
Catalog Number:
AG003MGF
Chemical Name:
5-Bromo-2,3-dimethoxybenzaldehyde
CAS Number:
71295-21-1
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD02611624
IUPAC Name:
5-bromo-2,3-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H9BrO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3
InChI Key:
RVMWFOFQRYTRHZ-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1C=O)Br
NSC Number:
279839
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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