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Home > Nitro Compounds > 121568-18-1
121568-18-1 | 1H-Pyrazole-4-carbonyl chloride, 1-methyl-5-nitro-
CAS No: 121568-18-1 Catalog No: AG0015A8 MDL No:MFCD13174175
Product Description
Catalog Number:
AG0015A8
Chemical Name:
1H-Pyrazole-4-carbonyl chloride, 1-methyl-5-nitro-
CAS Number:
121568-18-1
Molecular Formula:
C5H4ClN3O3
Molecular Weight:
189.5566
MDL Number:
MFCD13174175
IUPAC Name:
1-methyl-5-nitropyrazole-4-carbonyl chloride
InChI:
InChI=1S/C5H4ClN3O3/c1-8-5(9(11)12)3(2-7-8)4(6)10/h2H,1H3
InChI Key:
GZXWUVDDECGNIX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1n(C)ncc1C(=O)Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.555g/mol
Monoisotopic Mass:
188.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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