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129112-65-8 | Quinazoline, 2,4-dichloro-7-nitro-
CAS No: 129112-65-8 Catalog No: AG000YVM MDL No:
Product Description
Catalog Number:
AG000YVM
Chemical Name:
Quinazoline, 2,4-dichloro-7-nitro-
CAS Number:
129112-65-8
Molecular Formula:
C8H3Cl2N3O2
Molecular Weight:
244.0343
IUPAC Name:
2,4-dichloro-7-nitroquinazoline
InChI:
InChI=1S/C8H3Cl2N3O2/c9-7-5-2-1-4(13(14)15)3-6(5)11-8(10)12-7/h1-3H
InChI Key:
GTUFSSBJSUBKFD-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(n1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.96g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.031g/mol
Monoisotopic Mass:
242.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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