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Home > Nitro Compounds > 1172507-48-0
1172507-48-0 | 1-[(1,3-BENZODIOXOL-5-YLOXY)METHYL]-4-NITRO-1H-PYRAZOLE
CAS No: 1172507-48-0 Catalog No: AG01AOGD MDL No:MFCD10699014
Product Description
Catalog Number:
AG01AOGD
Chemical Name:
1-[(1,3-BENZODIOXOL-5-YLOXY)METHYL]-4-NITRO-1H-PYRAZOLE
CAS Number:
1172507-48-0
Molecular Formula:
C11H9N3O5
Molecular Weight:
263.2063
MDL Number:
MFCD10699014
IUPAC Name:
1-(1,3-benzodioxol-5-yloxymethyl)-4-nitropyrazole
InChI:
InChI=1S/C11H9N3O5/c15-14(16)8-4-12-13(5-8)6-17-9-1-2-10-11(3-9)19-7-18-10/h1-5H,6-7H2
InChI Key:
DMEURQORTMQESN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)COc1ccc2c(c1)OCO2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.209g/mol
Monoisotopic Mass:
263.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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