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923886-34-4 | 3-bromo-5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CAS No: 923886-34-4 Catalog No: AG019Q3J MDL No:MFCD08445103
Product Description
Catalog Number:
AG019Q3J
Chemical Name:
3-bromo-5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CAS Number:
923886-34-4
Molecular Formula:
C13H12BrNO3S
Molecular Weight:
342.2083
MDL Number:
MFCD08445103
IUPAC Name:
3-bromo-5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
InChI:
InChI=1S/C13H12BrNO3S/c1-8-15-10(7-19-8)6-18-13-11(14)3-9(5-16)4-12(13)17-2/h3-5,7H,6H2,1-2H3
InChI Key:
SMCDCAIVPWJYKO-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(c(c1)OC)OCc1csc(n1)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.972g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.207g/mol
Monoisotopic Mass:
340.972g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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