Home Halogens 1-(2-chloropyriMidin-4-yl)-3-Methyl-1H-pyrazole-4-carbaldehyde

1-(2-chloropyriMidin-4-yl)-3-Methyl-1H-pyrazole-4-carbaldehyde

CAS No.:
1448307-66-1
Catalog Number:
AG00AR71
Molecular Formula:
C9H7ClN4O
Molecular Weight:
222.6311
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Product Description
Catalog Number:
AG00AR71
Chemical Name:
1-(2-chloropyriMidin-4-yl)-3-Methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1448307-66-1
Molecular Formula:
C9H7ClN4O
Molecular Weight:
222.6311
MDL Number:
MFCD26937548
IUPAC Name:
1-(2-chloropyrimidin-4-yl)-3-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H7ClN4O/c1-6-7(5-15)4-14(13-6)8-2-3-11-9(10)12-8/h2-5H,1H3
InChI Key:
NGEXODJJSQPXEC-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C)c1ccnc(n1)Cl
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.632g/mol
Monoisotopic Mass:
222.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties