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1286330-19-5 | 8-Quinazolinecarboxylic acid, 2,4-dichloro-, methyl ester
CAS No: 1286330-19-5 Catalog No: AG000Y9A MDL No:
Product Description
Catalog Number:
AG000Y9A
Chemical Name:
8-Quinazolinecarboxylic acid, 2,4-dichloro-, methyl ester
CAS Number:
1286330-19-5
Molecular Formula:
C10H6Cl2N2O2
Molecular Weight:
257.0728
IUPAC Name:
methyl 2,4-dichloroquinazoline-8-carboxylate
InChI:
InChI=1S/C10H6Cl2N2O2/c1-16-9(15)6-4-2-3-5-7(6)13-10(12)14-8(5)11/h2-4H,1H3
InChI Key:
XPGUIQWGORMRRW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1nc(Cl)nc2Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.981g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.07g/mol
Monoisotopic Mass:
255.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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