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126675-00-1 | 1H-Pyrazole-4-carbonyl chloride, 3-methyl-1-[(methylamino)carbonyl]-
CAS No: 126675-00-1 Catalog No: AG000T2Z MDL No:
Product Description
Catalog Number:
AG000T2Z
Chemical Name:
1H-Pyrazole-4-carbonyl chloride, 3-methyl-1-[(methylamino)carbonyl]-
CAS Number:
126675-00-1
Molecular Formula:
C7H8ClN3O2
Molecular Weight:
201.6103
IUPAC Name:
3-methyl-1-(methylcarbamoyl)pyrazole-4-carbonyl chloride
InChI:
InChI=1S/C7H8ClN3O2/c1-4-5(6(8)12)3-11(10-4)7(13)9-2/h3H,1-2H3,(H,9,13)
InChI Key:
ZNFXKNGUYQVJOI-UHFFFAOYSA-N
SMILES:
CNC(=O)n1nc(c(c1)C(=O)Cl)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.61g/mol
Monoisotopic Mass:
201.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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