Catalog Number |
ACM1125628 |
CAS |
1125-62-8 |
Structure |
|
IUPAC Name |
4-chloro-5,6,7,8-tetrahydroquinazoline |
Synonyms |
4-Chloro-5,6,7,8-tetrahydroquinazoline;1125-62-8;SCHEMBL855087;DTXSID40503348;ZINC39250025;AKOS010640705;AB65892;NE45004;F1905-0051 |
Molecular Weight |
168.62g/mol |
Molecular Formula |
C8H9ClN2 |
Canonical SMILES |
C1CCC2=C(C1)C(=NC=N2)Cl |
InChI |
InChI=1S/C8H9ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2 |
InChI Key |
AHCZEYDUHAFFKD-UHFFFAOYSA-N |
Complexity |
140 |
Covalently-Bonded Unit Count |
1 |
Exact Mass |
168.0454260g/mol |
Heavy Atom Count |
11 |
Hydrogen Bond Acceptor Count |
2 |
Monoisotopic Mass |
168.0454260g/mol |
Rotatable Bond Count |
0 |
Topological Polar Surface Area |
25.8Ų |
X Log P3 |
2.4 |