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827031-53-8 | Quinazoline, 4-chloro-2-methyl-5-nitro-
CAS No: 827031-53-8 Catalog No: AG0050VW MDL No:
Product Description
Catalog Number:
AG0050VW
Chemical Name:
Quinazoline, 4-chloro-2-methyl-5-nitro-
CAS Number:
827031-53-8
Molecular Formula:
C9H6ClN3O2
Molecular Weight:
223.6158
IUPAC Name:
4-chloro-2-methyl-5-nitroquinazoline
InChI:
InChI=1S/C9H6ClN3O2/c1-5-11-6-3-2-4-7(13(14)15)8(6)9(10)12-5/h2-4H,1H3
InChI Key:
MHUBZLWSXCZTGU-UHFFFAOYSA-N
SMILES:
Cc1nc(Cl)c2c(n1)cccc2[N+](=O)[O-]
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.616g/mol
Monoisotopic Mass:
223.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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