Methyl 2-chloroquinazoline-6-carboxylate - CAS 1036755-96-0
Catalog: |
BB046721 |
Product Name: |
Methyl 2-chloroquinazoline-6-carboxylate |
CAS: |
1036755-96-0 |
Synonyms: |
6-Quinazolinecarboxylic acid, 2-chloro-, Methyl ester; Methyl 2-chloro-quinazolin-6-carboxylate; 2-Chloro-6-quinazolinecarboxylic acid methyl ester |
IUPAC Name: | methyl 2-chloroquinazoline-6-carboxylate |
Description: | Methyl 2-chloroquinazoline-6-carboxylate (CAS# 1036755-96-0 ) is a useful research chemical. |
Molecular Weight: | 222.63 |
Molecular Formula: | C10H7ClN2O2 |
Canonical SMILES: | COC(=O)C1=CC2=CN=C(N=C2C=C1)Cl |
InChI: | InChI=1S/C10H7ClN2O2/c1-15-9(14)6-2-3-8-7(4-6)5-12-10(11)13-8/h2-5H,1H3 |
InChI Key: | NURBZIINUBTMRI-UHFFFAOYSA-N |
Boiling Point: | 328.6±24.0 °C at 760 mmHg |
Purity: | 97 % by HPLC |
Density: | 1.4±0.1 g/cm3 |
MDL: | MFCD17016011 |
Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0196052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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