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923856-23-9 | 5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CAS No: 923856-23-9 Catalog No: AG019Q4I MDL No:MFCD08445152
Product Description
Catalog Number:
AG019Q4I
Chemical Name:
5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CAS Number:
923856-23-9
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
MDL Number:
MFCD08445152
IUPAC Name:
5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
InChI:
InChI=1S/C12H10BrNO2S/c1-8-14-11(7-17-8)6-16-12-3-2-10(13)4-9(12)5-15/h2-5,7H,6H2,1H3
InChI Key:
WOBHSELWLJWZSE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)ccc1OCc1csc(n1)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.962g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.181g/mol
Monoisotopic Mass:
310.962g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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