Methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate - CAS 350989-57-0
Catalog: |
BB046892 |
Product Name: |
Methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate |
CAS: |
350989-57-0 |
Synonyms: |
methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate; 2-Amino-4-(4-chloro-phenyl)-5-methyl-thiophene-3-carboxylic acid methyl ester |
IUPAC Name: | methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate |
Description: | Methyl 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate (CAS# 350989-57-0 ) is a useful research chemical. |
Molecular Weight: | 281.76 |
Molecular Formula: | C13H12ClNO2S |
Canonical SMILES: | CC1=C(C(=C(S1)N)C(=O)OC)C2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H12ClNO2S/c1-7-10(8-3-5-9(14)6-4-8)11(12(15)18-7)13(16)17-2/h3-6H,15H2,1-2H3 |
InChI Key: | YDTXFIUCMWUHLI-UHFFFAOYSA-N |
Boiling Point: | 399.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.325 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.0277275 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.0277275 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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