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Home > Nitro Compounds > 1429418-77-8
1429418-77-8 | 1-METHYL-5-NITRO-1H-PYRAZOLE-3-CARBONYL CHLORIDE
CAS No: 1429418-77-8 Catalog No: AG01AOPC MDL No:MFCD24540512
Product Description
Catalog Number:
AG01AOPC
Chemical Name:
1-METHYL-5-NITRO-1H-PYRAZOLE-3-CARBONYL CHLORIDE
CAS Number:
1429418-77-8
Molecular Formula:
C5H4ClN3O3
Molecular Weight:
189.5566
MDL Number:
MFCD24540512
IUPAC Name:
1-methyl-5-nitropyrazole-3-carbonyl chloride
InChI:
InChI=1S/C5H4ClN3O3/c1-8-4(9(11)12)2-3(7-8)5(6)10/h2H,1H3
InChI Key:
MUWIWZMOVMNPDN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(nn1C)C(=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:
1.2
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