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19815-17-9 | Quinazoline, 4-chloro-7-nitro-
CAS No: 19815-17-9 Catalog No: AG002BBP MDL No:MFCD00033667
Product Description
Catalog Number:
AG002BBP
Chemical Name:
Quinazoline, 4-chloro-7-nitro-
CAS Number:
19815-17-9
Molecular Formula:
C8H4ClN3O2
Molecular Weight:
209.5893
MDL Number:
MFCD00033667
IUPAC Name:
4-chloro-7-nitroquinazoline
InChI:
InChI=1S/C8H4ClN3O2/c9-8-6-2-1-5(12(13)14)3-7(6)10-4-11-8/h1-4H
InChI Key:
CCCGYXZEVXWXAU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncnc2Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.589g/mol
Monoisotopic Mass:
208.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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