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883-38-5 | 5-Chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde
CAS No: 883-38-5 Catalog No: AG0046PI MDL No:MFCD00244899
Product Description
Catalog Number:
AG0046PI
Chemical Name:
5-Chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
883-38-5
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
MDL Number:
MFCD00244899
IUPAC Name:
5-chloro-1-methyl-3-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H9ClN2O/c1-14-11(12)9(7-15)10(13-14)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
LIUUTPYWKXCVCS-UHFFFAOYSA-N
SMILES:
O=Cc1c(nn(c1Cl)C)c1ccccc1
Properties
Complexity:
231
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:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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