5-Nitro-2-[(tetrahydrofuran-2-ylmethyl)amino]benzonitrile

1. Names and Identifiers

1.2 Synonyms: 5-Nitro-2-(((tetrahydrofuran-2-yl)methyl)amino)benzonitrile; 5-Nitro-2-[(tetrahydro-2-furanylmethyl)amino]benzonitrile; 5-NITRO-2-[(TETRAHYDROFURAN-2-YLMETHYL)AMINO]-BENZONITRILE; 5-nitro-2-{[(oxolan-2-yl)methyl]amino}benzonitrile; AKOS000321530; AKOS016345722; ALBB-004888; Benzonitrile, 5-nitro-2-[[(tetrahydro-2-furanyl)methyl]amino]-; CHEMBL1487198; HMS2899B05; MCULE-1966315130; MLS001174798; R9305; SMR000591223; SR-01000066269; SR-01000066269-1; STK501356; Z31198841;

1.6 Inchi: InChI=1S/C12H13N3O3/c13-7-9-6-10(15(16)17)3-4-12(9)14-8-11-2-1-5-18-11/h3-4,6,11,14H,1-2,5,8H2

2. Computed Properties

Molecular Weight：247.25g/mol
Molecular Formula：C₁₂H₁₃N₃O₃
Compound Is Canonicalized：True
Exact Mass：2.4
XLogP3-AA：247.09569129
Monoisotopic Mass：247.09569129
Complexity：346
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：90.9
Heavy Atom Count：：18
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAAHgAUAAAADBzhmAYwwILQRACRBiRCQwCiAAAhAgAoiIAIZIoKoCLAkZGHIAhkkADYyA+QkAIOAACAQAACAAAAAQCAAAQAAAAAAAAAAA==

3. Toltal 2 Suppliers View more

Bio-Vin Research Laboratories

Tel: Update Time:2022/01/01

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HDH Pharma, Inc.

Tel: Update Time:2022/01/01

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4. Realated Product Infomation

1. Names and Identifiers