| CAS Number | 1026287-65-9 |
| Catalog Number | AG019EZS |
| Chemical Name | 2-Chloro-N-(thiophen-2-ylmethyl)quinazolin-4-amine |
| IUPAC Name | 2-chloro-N-(thiophen-2-ylmethyl)quinazolin-4-amine |
| InChI | InChI=1S/C13H10ClN3S/c14-13-16-11-6-2-1-5-10(11)12(17-13)15-8-9-4-3-7-18-9/h1-7H,8H2,(H,15,16,17) |
| InChI Key | CVAMKMNWQVMRDG-UHFFFAOYSA-N |
| MDL Number | MFCD17348617 |
| Molecular Formula | C13H10ClN3S |
| Molecular Weight | 275.7566 |
| SMILES | ClC1=NC2=CC=CC=C2C(=N1)NCC=1SC=CC1 |
| Synonyms | 2-chloro-N-(thiophen-2-ylmethyl)quinazolin-4-amine,
1026287-65-9,
SCHEMBL3643331,
HTS009208,
MFCD17348617,
ZINC38816137,
AKOS006092568,
CS-0062112,
2-chloro-N-(2-thienylmethyl)quinazolin-4-amine,
C13H10ClN3S,
CID10423550,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.754g/mol |
| Monoisotopic Mass | 275.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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