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1415099-67-0 | 1H-Pyrazole-1-ethanol, 5-chloro-α,α-dimethyl-4-nitro-
CAS No: 1415099-67-0 Catalog No: AG001GJ6 MDL No:MFCD22690761
Product Description
Catalog Number:
AG001GJ6
Chemical Name:
1H-Pyrazole-1-ethanol, 5-chloro-α,α-dimethyl-4-nitro-
CAS Number:
1415099-67-0
Molecular Formula:
C7H10ClN3O3
Molecular Weight:
219.6256
MDL Number:
MFCD22690761
IUPAC Name:
1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-ol
InChI:
InChI=1S/C7H10ClN3O3/c1-7(2,12)4-10-6(8)5(3-9-10)11(13)14/h3,12H,4H2,1-2H3
InChI Key:
OETUVPICMZBUQE-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1Cl)[N+](=O)[O-])(O)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.625g/mol
Monoisotopic Mass:
219.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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