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Home > Nitro Compounds > 512809-17-5
512809-17-5 | 1-[(2-methylphenyl)methyl]-3-nitro-1H-pyrazole
CAS No: 512809-17-5 Catalog No: AG00JV0E MDL No:MFCD03074467
Product Description
Catalog Number:
AG00JV0E
Chemical Name:
1-[(2-methylphenyl)methyl]-3-nitro-1H-pyrazole
CAS Number:
512809-17-5
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD03074467
IUPAC Name:
1-[(2-methylphenyl)methyl]-3-nitropyrazole
InChI:
InChI=1S/C11H11N3O2/c1-9-4-2-3-5-10(9)8-13-7-6-11(12-13)14(15)16/h2-7H,8H2,1H3
InChI Key:
XHWQUSGCOLRREK-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Cn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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