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Home > Nitro Compounds > 1260658-93-2
1260658-93-2 | 1-ETHYL-4-NITRO-1H-PYRAZOLE-3-CARBONYL CHLORIDE
CAS No: 1260658-93-2 Catalog No: AG01ANM8 MDL No:MFCD03421435
Product Description
Catalog Number:
AG01ANM8
Chemical Name:
1-ETHYL-4-NITRO-1H-PYRAZOLE-3-CARBONYL CHLORIDE
CAS Number:
1260658-93-2
Molecular Formula:
C6H6ClN3O3
Molecular Weight:
203.5831
MDL Number:
MFCD03421435
IUPAC Name:
1-ethyl-4-nitropyrazole-3-carbonyl chloride
InChI:
InChI=1S/C6H6ClN3O3/c1-2-9-3-4(10(12)13)5(8-9)6(7)11/h3H,2H2,1H3
InChI Key:
LJLPOLASQPARAW-UHFFFAOYSA-N
SMILES:
CCn1nc(c(c1)[N+](=O)[O-])C(=O)Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.582g/mol
Monoisotopic Mass:
203.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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