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Home > Aldehydes > 127868-63-7
127868-63-7 | Benzaldehyde, 3-(2-benzothiazolyl)-
CAS No: 127868-63-7 Catalog No: AG000XHP MDL No:MFCD07601135
Product Description
Catalog Number:
AG000XHP
Chemical Name:
Benzaldehyde, 3-(2-benzothiazolyl)-
CAS Number:
127868-63-7
Molecular Formula:
C14H9NOS
Molecular Weight:
239.2924
MDL Number:
MFCD07601135
IUPAC Name:
3-(1,3-benzothiazol-2-yl)benzaldehyde
InChI:
InChI=1S/C14H9NOS/c16-9-10-4-3-5-11(8-10)14-15-12-6-1-2-7-13(12)17-14/h1-9H
InChI Key:
JQCJRHLVXFNMKF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1nc2c(s1)cccc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.292g/mol
Monoisotopic Mass:
239.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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