| CAS Number | 1269667-57-3 |
| Catalog Number | AG000WGK(AGN-PC-0WCJPU) |
| Chemical Name | 4-chlorothieno[3,2-d]pyrimidine-7-carboxylic acid |
| IUPAC Name | 4-chlorothieno[3,2-d]pyrimidine-7-carboxylic acid |
| InChI | InChI=1S/C7H3ClN2O2S/c8-6-5-4(9-2-10-6)3(1-13-5)7(11)12/h1-2H,(H,11,12) |
| InChI Key | DTARXUPVWGNDNT-UHFFFAOYSA-N |
| MDL Number | MFCD20926153 |
| Molecular Formula | C7H3ClN2O2S |
| Molecular Weight | 214.6289 |
| SMILES | C(=O)(O)c1c2c(sc1)c(Cl)ncn2 |
| Synonyms | 4-CHLOROTHIENO[3,2-D]PYRIMIDINE-7-CARBOXYLIC ACID,
1269667-57-3,
SCHEMBL2235253,
DTARXUPVWGNDNT-UHFFFAOYSA-N,
KS-000006LK,
MFCD20926153,
ZINC95629927,
AKOS023725888,
PB11481,
AS-43115,
DA-46484,
CS-0050880,
FT-0714949,
Q-3167,
Thieno[3,2-d]pyrimidine-7-carboxylic acid, 4-chloro-,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.623g/mol |
| Monoisotopic Mass | 213.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number