Methyl 3-Amino-5-bromo-2-methylbenzoate - CAS 1000342-11-9
Catalog: |
BB000019 |
Product Name: |
Methyl 3-Amino-5-bromo-2-methylbenzoate |
CAS: |
1000342-11-9 |
Synonyms: |
3-amino-5-bromo-2-methylbenzoic acid methyl ester; methyl 3-amino-5-bromo-2-methylbenzoate |
IUPAC Name: | methyl 3-amino-5-bromo-2-methylbenzoate |
Description: | Methyl 3-Amino-5-bromo-2-methylbenzoate (CAS# 1000342-11-9) is a useful research chemical. |
Molecular Weight: | 244.09 |
Molecular Formula: | C9H10BrNO2 |
Canonical SMILES: | CC1=C(C=C(C=C1C(=O)OC)Br)N |
InChI: | InChI=1S/C9H10BrNO2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,11H2,1-2H3 |
InChI Key: | NMLOSXSDLWFBKT-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD08690071 |
LogP: | 2.70750 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248481-A | EZH2 covalent irreversible inhibitor, preparation method and application thereof | 20210419 |
CN-113024516-A | Double-target PARP/EZH2 inhibitor, preparation method and application | 20210329 |
CN-112778125-A | Aryl phenol compound and synthesis method and application thereof | 20210201 |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
CN-112341390-A | Compound for preparing targeted histone methyltransferase EZH2 covalent inhibitor and preparation method and application thereof | 20190807 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.98949 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.98949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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