Home Halogens 6-chloro-2-(chloromethyl)-3,4-dihydroquinazolin-4-one

6-chloro-2-(chloromethyl)-3,4-dihydroquinazolin-4-one

CAS No.:
2856-54-4
Catalog Number:
AG019OLB
Molecular Formula:
C9H6Cl2N2O
Molecular Weight:
229.0627
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Product Description
Catalog Number:
AG019OLB
Chemical Name:
6-chloro-2-(chloromethyl)-3,4-dihydroquinazolin-4-one
CAS Number:
2856-54-4
Molecular Formula:
C9H6Cl2N2O
Molecular Weight:
229.0627
MDL Number:
MFCD07339537
IUPAC Name:
6-chloro-2-(chloromethyl)-3H-quinazolin-4-one
InChI:
InChI=1S/C9H6Cl2N2O/c10-4-8-12-7-2-1-5(11)3-6(7)9(14)13-8/h1-3H,4H2,(H,12,13,14)
InChI Key:
GFXYOWSVACVDIK-UHFFFAOYSA-N
SMILES:
ClCc1nc2ccc(cc2c(=O)[nH]1)Cl
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.06g/mol
Monoisotopic Mass:
227.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties