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127406-11-5 | Benzaldehyde, 4-(2-methyl-4-thiazolyl)-
CAS No: 127406-11-5 Catalog No: AG000X28 MDL No:MFCD05863355
Product Description
Catalog Number:
AG000X28
Chemical Name:
Benzaldehyde, 4-(2-methyl-4-thiazolyl)-
CAS Number:
127406-11-5
Molecular Formula:
C11H9NOS
Molecular Weight:
203.2603
MDL Number:
MFCD05863355
IUPAC Name:
4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde
InChI:
InChI=1S/C11H9NOS/c1-8-12-11(7-14-8)10-4-2-9(6-13)3-5-10/h2-7H,1H3
InChI Key:
KZEOQFIBKXJGEX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1csc(n1)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.259g/mol
Monoisotopic Mass:
203.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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