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1006448-83-4 | 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylthiophene-2-carbaldehyde
CAS No: 1006448-83-4 Catalog No: AG01AFQJ MDL No:MFCD05862002
Product Description
Catalog Number:
AG01AFQJ
Chemical Name:
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-5-methylthiophene-2-carbaldehyde
CAS Number:
1006448-83-4
Molecular Formula:
C10H9ClN2OS
Molecular Weight:
240.7093
MDL Number:
MFCD05862002
IUPAC Name:
4-[(4-chloropyrazol-1-yl)methyl]-5-methylthiophene-2-carbaldehyde
InChI:
InChI=1S/C10H9ClN2OS/c1-7-8(2-10(6-14)15-7)4-13-5-9(11)3-12-13/h2-3,5-6H,4H2,1H3
InChI Key:
ZCYAHKKJXAUZPU-UHFFFAOYSA-N
SMILES:
Cc1sc(cc1Cn1cc(cn1)Cl)C=O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.705g/mol
Monoisotopic Mass:
240.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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