Methyl 4-Amino-3-methyl-5-nitrobenzoate - CAS 668276-44-6
Catalog: |
BB033108 |
Product Name: |
Methyl 4-Amino-3-methyl-5-nitrobenzoate |
CAS: |
668276-44-6 |
Synonyms: |
4-amino-3-methyl-5-nitrobenzoic acid methyl ester; methyl 4-amino-3-methyl-5-nitrobenzoate |
IUPAC Name: | methyl 4-amino-3-methyl-5-nitrobenzoate |
Description: | Methyl 4-Amino-3-methyl-5-nitrobenzoate (CAS# 668276-44-6) is a useful research chemical. |
Molecular Weight: | 210.19 |
Molecular Formula: | C9H10N2O4 |
Canonical SMILES: | CC1=C(C(=CC(=C1)C(=O)OC)[N+](=O)[O-])N |
InChI: | InChI=1S/C9H10N2O4/c1-5-3-6(9(12)15-2)4-7(8(5)10)11(13)14/h3-4H,10H2,1-2H3 |
InChI Key: | DCBDOCUUDHFUSW-UHFFFAOYSA-N |
LogP: | 2.37640 |
Publication Number | Title | Priority Date |
WO-2020233676-A1 | Amide-substituted imidazo compounds as selective inhibitors of indoleamine 2, 3-dioxygenases | 20190522 |
WO-2020233677-A1 | Process for preparing amide-substituted imidazo compounds | 20190522 |
WO-2020156323-A1 | Immunomodulators, compositions and methods thereof | 20190131 |
WO-2020119606-A1 | Heterocyclic compounds as inhibitors of fibroblast growth factor receptor | 20181210 |
DE-10359098-A1 | Novel 2- (piperazin-1-yl) and 2 - ([1,4] diazepan-1-yl) imidazo [4,5-d] pyridazin-4-ones, their preparation and their use as pharmaceuticals | 20031217 |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0640568 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0640568 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 98.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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