Methyl 3-Amino-4-bromothiophene-2-carboxylate - CAS 161833-42-7
Catalog: |
BB011788 |
Product Name: |
Methyl 3-Amino-4-bromothiophene-2-carboxylate |
CAS: |
161833-42-7 |
Synonyms: |
3-amino-4-bromo-2-thiophenecarboxylic acid methyl ester; methyl 3-amino-4-bromothiophene-2-carboxylate |
IUPAC Name: | methyl 3-amino-4-bromothiophene-2-carboxylate |
Description: | Methyl 3-Amino-4-bromothiophene-2-carboxylate (CAS# 161833-42-7) is a useful research chemical. |
Molecular Weight: | 236.09 |
Molecular Formula: | C6H6BrNO2S |
Canonical SMILES: | COC(=O)C1=C(C(=CS1)Br)N |
InChI: | InChI=1S/C6H6BrNO2S/c1-10-6(9)5-4(8)3(7)2-11-5/h2H,8H2,1H3 |
InChI Key: | LWSWLXPUUCBUPI-UHFFFAOYSA-N |
LogP: | 2.46060 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021169990-A1 | Kras inhibitors for treating cancers | 20200224 |
WO-2021133915-A1 | Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof | 20191223 |
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Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.93026 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.93026 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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