Home Halogens 4(3H)-Quinazolinone, 2-chloro-7-methoxy-

4(3H)-Quinazolinone, 2-chloro-7-methoxy-

CAS No.:
20197-98-2
Catalog Number:
AG0027YN
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
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Product Description
Catalog Number:
AG0027YN
Chemical Name:
4(3H)-Quinazolinone, 2-chloro-7-methoxy-
CAS Number:
20197-98-2
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
IUPAC Name:
2-chloro-7-methoxy-3H-quinazolin-4-one
InChI:
InChI=1S/C9H7ClN2O2/c1-14-5-2-3-6-7(4-5)11-9(10)12-8(6)13/h2-4H,1H3,(H,11,12,13)
InChI Key:
GWKYECPVPJPSHI-UHFFFAOYSA-N
SMILES:
COc1cc2nc(Cl)[nH]c(=O)c2cc1
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties