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Home > Nitro Compounds > 1199215-97-8
1199215-97-8 | 1-ethyl-4-nitro-1H-pyrazole-5-carbonyl chloride
CAS No: 1199215-97-8 Catalog No: AG00HF7G MDL No:MFCD03421432
Product Description
Catalog Number:
AG00HF7G
Chemical Name:
1-ethyl-4-nitro-1H-pyrazole-5-carbonyl chloride
CAS Number:
1199215-97-8
Molecular Formula:
C6H6ClN3O3
Molecular Weight:
203.5831
MDL Number:
MFCD03421432
IUPAC Name:
2-ethyl-4-nitropyrazole-3-carbonyl chloride
InChI:
InChI=1S/C6H6ClN3O3/c1-2-9-5(6(7)11)4(3-8-9)10(12)13/h3H,2H2,1H3
InChI Key:
SEGMBFUPXYZVNI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1C(=O)Cl)CC
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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