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1006459-08-0 | 4-(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)BUTANOYL CHLORIDE
CAS No: 1006459-08-0 Catalog No: AG01ANXY MDL No:MFCD08456989
Product Description
Catalog Number:
AG01ANXY
Chemical Name:
4-(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)BUTANOYL CHLORIDE
CAS Number:
1006459-08-0
Molecular Formula:
C8H10ClN3O3
Molecular Weight:
231.6363
MDL Number:
MFCD08456989
IUPAC Name:
4-(5-methyl-3-nitropyrazol-1-yl)butanoyl chloride
InChI:
InChI=1S/C8H10ClN3O3/c1-6-5-8(12(14)15)10-11(6)4-2-3-7(9)13/h5H,2-4H2,1H3
InChI Key:
FMUCPHUJXFTANH-UHFFFAOYSA-N
SMILES:
ClC(=O)CCCn1nc(cc1C)[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.636g/mol
Monoisotopic Mass:
231.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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