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126674-99-5 | 1H-Pyrazole-5-carbonyl chloride, 3-methoxy-1-methyl-
CAS No: 126674-99-5 Catalog No: AG000T30 MDL No:
Product Description
Catalog Number:
AG000T30
Chemical Name:
1H-Pyrazole-5-carbonyl chloride, 3-methoxy-1-methyl-
CAS Number:
126674-99-5
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
IUPAC Name:
5-methoxy-2-methylpyrazole-3-carbonyl chloride
InChI:
InChI=1S/C6H7ClN2O2/c1-9-4(6(7)10)3-5(8-9)11-2/h3H,1-2H3
InChI Key:
JEFKCOVJMFYOGJ-UHFFFAOYSA-N
SMILES:
COc1nn(c(c1)C(=O)Cl)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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