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Home > Nitro Compounds > 1415564-46-3
1415564-46-3 | 1-Benzyl-2-nitro-1,4-dihydropyrazine
CAS No: 1415564-46-3 Catalog No: AG00ILX9 MDL No:
Product Description
Catalog Number:
AG00ILX9
Chemical Name:
1-Benzyl-2-nitro-1,4-dihydropyrazine
CAS Number:
1415564-46-3
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
4-benzyl-3-nitro-1H-pyrazine
InChI:
InChI=1S/C11H11N3O2/c15-14(16)11-8-12-6-7-13(11)9-10-4-2-1-3-5-10/h1-8,12H,9H2
InChI Key:
RLTXXMDUCPENNW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]ccn1Cc1ccccc1
Properties
Complexity:
314
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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