Home Halogens 1-[(2-chlorophenyl)methyl]-1H-pyrazole-4-carbaldehyde

1-[(2-chlorophenyl)methyl]-1H-pyrazole-4-carbaldehyde

CAS No.:
878218-13-4
Catalog Number:
AG00IESG
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
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Product Description
Catalog Number:
AG00IESG
Chemical Name:
1-[(2-chlorophenyl)methyl]-1H-pyrazole-4-carbaldehyde
CAS Number:
878218-13-4
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
MDL Number:
MFCD08239618
IUPAC Name:
1-[(2-chlorophenyl)methyl]pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H9ClN2O/c12-11-4-2-1-3-10(11)7-14-6-9(8-15)5-13-14/h1-6,8H,7H2
InChI Key:
QYTVCQUUYIWDPN-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)Cc1ccccc1Cl
Properties
Complexity:
225  
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:
1.9  
Properties