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Home > Nitro Compounds > 1269291-82-8
1269291-82-8 | 1H-Pyrazole, 5-(dimethoxymethyl)-1-(2-nitrophenyl)-
CAS No: 1269291-82-8 Catalog No: AG000TIW MDL No:MFCD20275373
Product Description
Catalog Number:
AG000TIW
Chemical Name:
1H-Pyrazole, 5-(dimethoxymethyl)-1-(2-nitrophenyl)-
CAS Number:
1269291-82-8
Molecular Formula:
C12H13N3O4
Molecular Weight:
263.2493
MDL Number:
MFCD20275373
IUPAC Name:
5-(dimethoxymethyl)-1-(2-nitrophenyl)pyrazole
InChI:
InChI=1S/C12H13N3O4/c1-18-12(19-2)11-7-8-13-14(11)9-5-3-4-6-10(9)15(16)17/h3-8,12H,1-2H3
InChI Key:
JVUPIYRDFMRQEL-UHFFFAOYSA-N
SMILES:
COC(c1ccnn1c1ccccc1[N+](=O)[O-])OC
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.253g/mol
Monoisotopic Mass:
263.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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