4-Chloroquinazoline-6,7-diol - CAS 1145671-36-8
Catalog: |
BB073112 |
Product Name: |
4-Chloroquinazoline-6,7-diol |
CAS: |
1145671-36-8 |
Synonyms: |
4-CHLOROQUINAZOLINE-6,7-DIOL; 4-CHLORO-6,7-QUINAZOLINEDIOL; 4-Chloro-quinazoline-6,7-diol; 4-chloro-6-hydroxy-3H-quinazolin-7-one; 6,7-Quinazolinediol, 4-chloro- |
IUPAC Name: | 4-chloroquinazoline-6,7-diol |
Molecular Weight: | 196.59 |
Molecular Formula: | C8H5N2O2Cl |
Canonical SMILES: | C1=C2C(=CC(=C1O)O)N=CN=C2Cl |
InChI: | InChI=1S/C8H5ClN2O2/c9-8-4-1-6(12)7(13)2-5(4)10-3-11-8/h1-3,12-13H |
InChI Key: | UNQTWJOLTBKYPZ-UHFFFAOYSA-N |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0039551 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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