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128249-59-2 | 1H-Pyrazole-5-carbonyl chloride, 1-ethyl-3-methyl-
CAS No: 128249-59-2 Catalog No: AG000XWP MDL No:
Product Description
Catalog Number:
AG000XWP
Chemical Name:
1H-Pyrazole-5-carbonyl chloride, 1-ethyl-3-methyl-
CAS Number:
128249-59-2
Molecular Formula:
C7H9ClN2O
Molecular Weight:
172.6122
IUPAC Name:
2-ethyl-5-methylpyrazole-3-carbonyl chloride
InChI:
InChI=1S/C7H9ClN2O/c1-3-10-6(7(8)11)4-5(2)9-10/h4H,3H2,1-2H3
InChI Key:
ALEXVLREJYSWDY-UHFFFAOYSA-N
SMILES:
CCn1nc(cc1C(=O)Cl)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.612g/mol
Monoisotopic Mass:
172.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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