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Home > Nitro Compounds > 948570-75-0
948570-75-0 | 1-(2-methoxyethyl)-4-nitro-1H-pyrazole
CAS No: 948570-75-0 Catalog No: AG00IILH MDL No:MFCD02755678
Product Description
Catalog Number:
AG00IILH
Chemical Name:
1-(2-methoxyethyl)-4-nitro-1H-pyrazole
CAS Number:
948570-75-0
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
MDL Number:
MFCD02755678
IUPAC Name:
1-(2-methoxyethyl)-4-nitropyrazole
InChI:
InChI=1S/C6H9N3O3/c1-12-3-2-8-5-6(4-7-8)9(10)11/h4-5H,2-3H2,1H3
InChI Key:
SGZBZPUTFUMZBQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)CCOC
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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