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Home > Aldehydes > 198904-53-9
198904-53-9 | Benzaldehyde, 4-(2-thiazolyl)-
CAS No: 198904-53-9 Catalog No: AG002BTE MDL No:MFCD06797780
Product Description
Catalog Number:
AG002BTE
Chemical Name:
Benzaldehyde, 4-(2-thiazolyl)-
CAS Number:
198904-53-9
Molecular Formula:
C10H7NOS
Molecular Weight:
189.2337
MDL Number:
MFCD06797780
IUPAC Name:
4-(1,3-thiazol-2-yl)benzaldehyde
InChI:
InChI=1S/C10H7NOS/c12-7-8-1-3-9(4-2-8)10-11-5-6-13-10/h1-7H
InChI Key:
LQLBILPEELCFQI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1nccs1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.232g/mol
Monoisotopic Mass:
189.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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