Home Halogens 1-benzyl-5-chloro-1H-pyrazole-4-carbaldehyde

1-benzyl-5-chloro-1H-pyrazole-4-carbaldehyde

CAS No.:
1803598-46-0
Catalog Number:
AG01BDSC
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
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Product Description
Catalog Number:
AG01BDSC
Chemical Name:
1-benzyl-5-chloro-1H-pyrazole-4-carbaldehyde
CAS Number:
1803598-46-0
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
MDL Number:
MFCD28383705
IUPAC Name:
1-benzyl-5-chloropyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H9ClN2O/c12-11-10(8-15)6-13-14(11)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChI Key:
SGCPJSCIOHPRCA-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1Cl)Cc1ccccc1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.656g/mol
Monoisotopic Mass:
220.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties