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Home > Nitro Compounds > 89717-67-9
89717-67-9 | 1H-Pyrazole, 4-methoxy-1-methyl-5-nitro-
CAS No: 89717-67-9 Catalog No: AG0043VV MDL No:
Product Description
Catalog Number:
AG0043VV
Chemical Name:
1H-Pyrazole, 4-methoxy-1-methyl-5-nitro-
CAS Number:
89717-67-9
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
IUPAC Name:
4-methoxy-1-methyl-5-nitropyrazole
InChI:
InChI=1S/C5H7N3O3/c1-7-5(8(9)10)4(11-2)3-6-7/h3H,1-2H3
InChI Key:
SUIRYQAMUGFFMB-UHFFFAOYSA-N
SMILES:
COc1cnn(c1[N+](=O)[O-])C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.129g/mol
Monoisotopic Mass:
157.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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