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Home > Nitro Compounds > 898053-40-2
898053-40-2 | 1-[(2-methylphenyl)methyl]-4-nitro-1H-pyrazole
CAS No: 898053-40-2 Catalog No: AG00JV2E MDL No:MFCD06167033
Product Description
Catalog Number:
AG00JV2E
Chemical Name:
1-[(2-methylphenyl)methyl]-4-nitro-1H-pyrazole
CAS Number:
898053-40-2
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD06167033
IUPAC Name:
1-[(2-methylphenyl)methyl]-4-nitropyrazole
InChI:
InChI=1S/C11H11N3O2/c1-9-4-2-3-5-10(9)7-13-8-11(6-12-13)14(15)16/h2-6,8H,7H2,1H3
InChI Key:
SFSCAGXYDCYWTC-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Cn1ncc(c1)[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
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