Home Halogens Methyl 2-(chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate

Methyl 2-(chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate

CAS No.:
730949-68-5
Catalog Number:
AG00ICCF
Molecular Formula:
C11H9ClN2O3
Molecular Weight:
252.6538
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00ICCF
Chemical Name:
Methyl 2-(chloromethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
CAS Number:
730949-68-5
Molecular Formula:
C11H9ClN2O3
Molecular Weight:
252.6538
MDL Number:
MFCD04621457
IUPAC Name:
methyl 2-(chloromethyl)-4-oxo-3H-quinazoline-7-carboxylate
InChI:
InChI=1S/C11H9ClN2O3/c1-17-11(16)6-2-3-7-8(4-6)13-9(5-12)14-10(7)15/h2-4H,5H2,1H3,(H,13,14,15)
InChI Key:
AKOLVCTUEUWOIR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)nc([nH]c2=O)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