| CAS Number | 40017-58-1 |
| Catalog Number | AG00BXDF(AGN-PC-0JWN3Y) |
| Chemical Name | 2-Amino-3-(2-chlorobenzoyl)thiophene |
| EC Number | 609-770-8 |
| IUPAC Name | (2-aminothiophen-3-yl)-(2-chlorophenyl)methanone |
| InChI | InChI=1S/C11H8ClNOS/c12-9-4-2-1-3-7(9)10(14)8-5-6-15-11(8)13/h1-6H,13H2 |
| InChI Key | PYKUZKXKWBHTCO-UHFFFAOYSA-N |
| MDL Number | MFCD07787592 |
| Molecular Formula | C11H8ClNOS |
| Molecular Weight | 237.7053 |
| SMILES | Nc1sccc1C(=O)c2ccccc2Cl |
| Synonyms | 40017-58-1,
2-AMINO-3-(2-CHLOROBENZOYL)THIOPHENE,
(2-aminothiophen-3-yl)(2-chlorophenyl)methanone,
(2-Amino-3-thienyl)(2-chlorophenyl)methanone,
(2-aminothiophen-3-yl)-(2-chlorophenyl)methanone,
AC1LGUD1,
Oprea1_731459,
SCHEMBL5434275,
CTK4I2274,
DTXSID20356612,
PYKUZKXKWBHTCO-UHFFFAOYSA-N,
ZINC347455,
2-amino-3-(o-chlorobenzoyl)thiophene,
AKOS000281965,
2-Amino-3-(o-chlorobenzoyl)-thiophene,
FT-0661673,
Z5519,
(2-Aminothiophene-3-yl)(2-chlorophenyl)methanone,
C11H8ClNOS,
CID827126,
(2-Amino-3-thienyl)-(2-chlorophenyl)methanone,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.701g/mol |
| Monoisotopic Mass | 237.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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