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20198-18-9 | 4(3H)-Quinazolinone, 2-amino-7-chloro-
CAS No: 20198-18-9 Catalog No: AG0027YK MDL No:
Product Description
Catalog Number:
AG0027YK
Chemical Name:
4(3H)-Quinazolinone, 2-amino-7-chloro-
CAS Number:
20198-18-9
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
IUPAC Name:
2-amino-7-chloro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H6ClN3O/c9-4-1-2-5-6(3-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13)
InChI Key:
AYQNXSWNEYAFSB-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc([nH]c2=O)N
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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