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923870-22-8 | 3-bromo-5-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzaldehyde
CAS No: 923870-22-8 Catalog No: AG019Q32 MDL No:MFCD08445076
Product Description
Catalog Number:
AG019Q32
Chemical Name:
3-bromo-5-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzaldehyde
CAS Number:
923870-22-8
Molecular Formula:
C12H10BrNO3S
Molecular Weight:
328.1817
MDL Number:
MFCD08445076
IUPAC Name:
3-bromo-5-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzaldehyde
InChI:
InChI=1S/C12H10BrNO3S/c1-16-11-3-8(4-15)2-10(13)12(11)17-5-9-6-18-7-14-9/h2-4,6-7H,5H2,1H3
InChI Key:
LTVBFXXQGFOVNC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(c(c1)OC)OCc1ncsc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.956g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.18g/mol
Monoisotopic Mass:
326.956g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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