Home Halogens 5-Quinazolinecarboxylic acid, 2-(chloromethyl)-3,4-dihydro-4-oxo-, methyl ester

5-Quinazolinecarboxylic acid, 2-(chloromethyl)-3,4-dihydro-4-oxo-, methyl ester

CAS No.:
1140964-67-5
Catalog Number:
AG008TL9
Molecular Formula:
C11H9ClN2O3
Molecular Weight:
252.6538
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Product Description
Catalog Number:
AG008TL9
Chemical Name:
5-Quinazolinecarboxylic acid, 2-(chloromethyl)-3,4-dihydro-4-oxo-, methyl ester
CAS Number:
1140964-67-5
Molecular Formula:
C11H9ClN2O3
Molecular Weight:
252.6538
MDL Number:
MFCD28384722
IUPAC Name:
methyl 2-(chloromethyl)-4-oxo-3H-quinazoline-5-carboxylate
InChI:
InChI=1S/C11H9ClN2O3/c1-17-11(16)6-3-2-4-7-9(6)10(15)14-8(5-12)13-7/h2-4H,5H2,1H3,(H,13,14,15)
InChI Key:
GCCKDFROPZNSAC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(=O)[nH]c(n2)CCl
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.03g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.654g/mol
Monoisotopic Mass:
252.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties