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116556-08-2 | 3H-Pyrazol-3-one, 4-chloro-2-hydrazinyl-2,4-dihydro-5-methyl-
CAS No: 116556-08-2 Catalog No: AG000CSD MDL No:
Product Description
Catalog Number:
AG000CSD
Chemical Name:
3H-Pyrazol-3-one, 4-chloro-2-hydrazinyl-2,4-dihydro-5-methyl-
CAS Number:
116556-08-2
Molecular Formula:
C4H7ClN4O
Molecular Weight:
162.5776
IUPAC Name:
4-chloro-2-hydrazinyl-5-methyl-4H-pyrazol-3-one
InChI:
InChI=1S/C4H7ClN4O/c1-2-3(5)4(10)9(7-2)8-6/h3,8H,6H2,1H3
InChI Key:
MUFQXPOZNWPVCM-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1Cl)NN
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.577g/mol
Monoisotopic Mass:
162.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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