| CAS Number | 1231761-02-6 |
| Catalog Number | AG000K4I(AGN-PC-0WCKCR) |
| Chemical Name | 5-Quinazolinecarbonitrile |
| IUPAC Name | quinazoline-5-carbonitrile |
| InChI | InChI=1S/C9H5N3/c10-4-7-2-1-3-9-8(7)5-11-6-12-9/h1-3,5-6H |
| InChI Key | OPZNJYOCOUQAQL-UHFFFAOYSA-N |
| MDL Number | MFCD21642001 |
| Molecular Formula | C9H5N3 |
| Molecular Weight | 155.1561 |
| SMILES | N#Cc1cccc2ncncc12 |
| Synonyms | 5-Cyanoquinazoline,
Quinazoline-5-carbonitrile,
1231761-02-6,
5-Quinazolinecarbonitrile,
KS-000008FY,
MFCD21642001,
ZINC95627678,
AKOS024050561,
SB21698,
AS-51559,
CS-0048719,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.16g/mol |
| Monoisotopic Mass | 155.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number