Methyl 2,4-Dichloroquinazoline-7-carboxylate - CAS 174074-89-6
Catalog: |
BB012981 |
Product Name: |
Methyl 2,4-Dichloroquinazoline-7-carboxylate |
CAS: |
174074-89-6 |
Synonyms: |
2,4-dichloro-7-quinazolinecarboxylic acid methyl ester; methyl 2,4-dichloroquinazoline-7-carboxylate |
IUPAC Name: | methyl 2,4-dichloroquinazoline-7-carboxylate |
Description: | Methyl 2,4-Dichloroquinazoline-7-carboxylate (CAS# 174074-89-6) is a useful research chemical. |
Molecular Weight: | 257.07 |
Molecular Formula: | C10H6Cl2N2O2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)Cl)Cl |
InChI: | InChI=1S/C10H6Cl2N2O2/c1-16-9(15)5-2-3-6-7(4-5)13-10(12)14-8(6)11/h2-4H,1H3 |
InChI Key: | MDGPWZDKZBYRNL-UHFFFAOYSA-N |
Boiling Point: | 303.3 ℃ at 760 mmHg |
Density: | 1.496 g/cm3 |
LogP: | 2.72320 |
Publication Number | Title | Priority Date |
CA-2651072-A1 | Substituted 2-amino-fused heterocyclic compounds | 20060501 |
EP-2024342-A2 | Substituted 2-amino-fused heterocyclic compounds | 20060501 |
JP-2009535393-A | Substituted 2-amino fused heterocyclic compounds | 20060501 |
US-2010056506-A1 | Substituted 2-amino-fused heterocyclic compounds | 20060501 |
US-2012035194-A1 | Substituted 2-amino-fused heterocyclic compounds | 20060501 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.9806328 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.9806328 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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