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143745-30-6 | 4(3H)-Quinazolinone, 2,6-diamino-5-chloro-
CAS No: 143745-30-6 Catalog No: AG001IB9 MDL No:
Product Description
Catalog Number:
AG001IB9
Chemical Name:
4(3H)-Quinazolinone, 2,6-diamino-5-chloro-
CAS Number:
143745-30-6
Molecular Formula:
C8H7ClN4O
Molecular Weight:
210.6204
IUPAC Name:
2,6-diamino-5-chloro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H7ClN4O/c9-6-3(10)1-2-4-5(6)7(14)13-8(11)12-4/h1-2H,10H2,(H3,11,12,13,14)
InChI Key:
NBZYJPVWAIGHSG-UHFFFAOYSA-N
SMILES:
Nc1nc2ccc(c(c2c(=O)[nH]1)Cl)N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.621g/mol
Monoisotopic Mass:
210.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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