4-(Methylamino)-3-nitrobenzonitrile - CAS 64910-45-8
Catalog: |
BB059441 |
Product Name: |
4-(Methylamino)-3-nitrobenzonitrile |
CAS: |
64910-45-8 |
Synonyms: |
4-(methylamino)-3-nitrobenzonitrile; 4-methylamino-3-nitro-benzonitrile; 4-methylamino-3-nitrobenzonitrile; 3-Nitro-4-(methylamino)benzonitrile |
IUPAC Name: | 4-(methylamino)-3-nitrobenzonitrile |
Description: | 4-(Methylamino)-3-nitrobenzonitrile |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7N3O2/c1-10-7-3-2-6(5-9)4-8(7)11(12)13/h2-4,10H,1H3 |
InChI Key: | KTWMUUHEGDUZCG-UHFFFAOYSA-N |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112824402-A | Benzimidazole derivative, preparation method and application thereof | 20191121 |
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Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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