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1401521-99-0 | 2-(3-METHYL-ISOTHIAZOL-5-YL)-BENZALDEHYDE
CAS No: 1401521-99-0 Catalog No: AG01C71A MDL No:MFCD22573496
Product Description
Catalog Number:
AG01C71A
Chemical Name:
2-(3-METHYL-ISOTHIAZOL-5-YL)-BENZALDEHYDE
CAS Number:
1401521-99-0
Molecular Formula:
C11H9NOS
Molecular Weight:
203.2603
MDL Number:
MFCD22573496
IUPAC Name:
2-(3-methyl-1,2-thiazol-5-yl)benzaldehyde
InChI:
InChI=1S/C11H9NOS/c1-8-6-11(14-12-8)10-5-3-2-4-9(10)7-13/h2-7H,1H3
InChI Key:
FUSVOGFHOYMVLN-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1c1snc(c1)C
Properties
Complexity:
210
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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