2-(Aminomethyl)-5-nitrothiophene Hydrochloride - CAS 1418117-90-4
Catalog: |
BB009259 |
Product Name: |
2-(Aminomethyl)-5-nitrothiophene Hydrochloride |
CAS: |
1418117-90-4 |
Synonyms: |
(5-nitro-2-thiophenyl)methanamine;hydrochloride; (5-nitrothiophen-2-yl)methanamine;hydrochloride |
IUPAC Name: | (5-nitrothiophen-2-yl)methanamine;hydrochloride |
Description: | 2-(Aminomethyl)-5-nitrothiophene Hydrochloride (CAS# 1418117-90-4) is a useful research chemical. |
Molecular Weight: | 194.64 |
Molecular Formula: | C5H7ClN2O2S |
Canonical SMILES: | C1=C(SC(=C1)[N+](=O)[O-])CN.Cl |
InChI: | InChI=1S/C5H6N2O2S.ClH/c6-3-4-1-2-5(10-4)7(8)9;/h1-2H,3,6H2;1H |
InChI Key: | YYXXJIRIYPXWFC-UHFFFAOYSA-N |
LogP: | 3.14050 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.9916763 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.9916763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 100 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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