5-Nitro-2-[(tetrahydro-furan-2-ylmethyl)-amino]-benzonitrile

1. 名前と識別子

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. 安全文

2.1 安全と危険

ストレージクラス

IRRITANT

3. 計算化学データ

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==

4. Toltal 2 しいれ業者詳細を表示

Bio-Vin Research Laboratories

Tel: Update Time:2022/01/01

inquire

HDH Pharma, Inc.

Tel: Update Time:2022/01/01

inquire

5. 実際の製品情報

1. 名前と識別子