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Home > Nitro Compounds > 1803582-77-5
1803582-77-5 | 1-[1-(2-methylphenyl)-2-nitropropyl]-1H-pyrazole
CAS No: 1803582-77-5 Catalog No: AG01BHK7 MDL No:MFCD28383726
Product Description
Catalog Number:
AG01BHK7
Chemical Name:
1-[1-(2-methylphenyl)-2-nitropropyl]-1H-pyrazole
CAS Number:
1803582-77-5
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD28383726
IUPAC Name:
1-[1-(2-methylphenyl)-2-nitropropyl]pyrazole
InChI:
InChI=1S/C13H15N3O2/c1-10-6-3-4-7-12(10)13(11(2)16(17)18)15-9-5-8-14-15/h3-9,11,13H,1-2H3
InChI Key:
AZMCQWDHAIPSQE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(c1ccccc1C)n1cccn1)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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