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205113-77-5 | 1H-Pyrazole-4-carbonyl chloride, 5-methyl-1-phenyl-
CAS No: 205113-77-5 Catalog No: AG0029VH MDL No:MFCD02677692
Product Description
Catalog Number:
AG0029VH
Chemical Name:
1H-Pyrazole-4-carbonyl chloride, 5-methyl-1-phenyl-
CAS Number:
205113-77-5
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
MDL Number:
MFCD02677692
IUPAC Name:
5-methyl-1-phenylpyrazole-4-carbonyl chloride
InChI:
InChI=1S/C11H9ClN2O/c1-8-10(11(12)15)7-13-14(8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
VWZLNKSEPOXZKV-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cnn(c1C)c1ccccc1
Properties
Complexity:
241
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:
2.8
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