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Home > Nitro Compounds > 400877-62-5
400877-62-5 | 3,5-DIMETHYL-1-(1-NAPHTHYLMETHYL)-4-NITRO-1H-PYRAZOLE
CAS No: 400877-62-5 Catalog No: AG01AO1L MDL No:MFCD03087891
Product Description
Catalog Number:
AG01AO1L
Chemical Name:
3,5-DIMETHYL-1-(1-NAPHTHYLMETHYL)-4-NITRO-1H-PYRAZOLE
CAS Number:
400877-62-5
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
MDL Number:
MFCD03087891
IUPAC Name:
3,5-dimethyl-1-(naphthalen-1-ylmethyl)-4-nitropyrazole
InChI:
InChI=1S/C16H15N3O2/c1-11-16(19(20)21)12(2)18(17-11)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9H,10H2,1-2H3
InChI Key:
INUUTXPMSJHREG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)nn(c1C)Cc1cccc2c1cccc2
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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