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Home > Nitro Compounds > 1006442-04-1
1006442-04-1 | (5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETYL CHLORIDE
CAS No: 1006442-04-1 Catalog No: AG01AO3V MDL No:MFCD06805651
Product Description
Catalog Number:
AG01AO3V
Chemical Name:
(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETYL CHLORIDE
CAS Number:
1006442-04-1
Molecular Formula:
C6H6ClN3O3
Molecular Weight:
203.5831
MDL Number:
MFCD06805651
IUPAC Name:
2-(5-methyl-3-nitropyrazol-1-yl)acetyl chloride
InChI:
InChI=1S/C6H6ClN3O3/c1-4-2-6(10(12)13)8-9(4)3-5(7)11/h2H,3H2,1H3
InChI Key:
SAGJJZZSZBUWNC-UHFFFAOYSA-N
SMILES:
ClC(=O)Cn1nc(cc1C)[N+](=O)[O-]
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:
1.5
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