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921939-12-0 | 2-THIOPHEN-2-YLPYRIMIDINE-5-CARBALDEHYDE
CAS No: 921939-12-0 Catalog No: AG0062VD MDL No:MFCD09817553
Product Description
Catalog Number:
AG0062VD
Chemical Name:
2-THIOPHEN-2-YLPYRIMIDINE-5-CARBALDEHYDE
CAS Number:
921939-12-0
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
MDL Number:
MFCD09817553
IUPAC Name:
2-thiophen-2-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H6N2OS/c12-6-7-4-10-9(11-5-7)8-2-1-3-13-8/h1-6H
InChI Key:
DCIBDJAGZUQNKM-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)c1cccs1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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